 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer04_STD_wB97XD_def2SVPD.in
 Output=26_junionone_conformer04_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-28783.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     28786.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer04_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer04_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.563436000000     -0.729672000000      1.520857000000
  C                                                 2.064169000000     -0.295175000000      0.147987000000
  C                                                 0.913913000000      0.297997000000     -0.759656000000
  C                                                -0.457172000000     -0.234905000000     -0.607701000000
  C                                                -1.526747000000      0.432256000000     -0.171814000000
  C                                                -2.854030000000     -0.220333000000     -0.046417000000
  O                                                -3.035071000000     -1.392293000000     -0.312062000000
  C                                                 2.915069000000     -1.378214000000     -0.489725000000
  C                                                 2.663856000000      1.139073000000      0.184553000000
  C                                                 1.305201000000      1.711207000000     -0.281468000000
  C                                                -3.981142000000      0.663387000000      0.438466000000
  H                                                 3.441327000000      1.268677000000     -0.569534000000
  H                                                 3.047149000000      1.480572000000      1.146370000000
  H                                                 1.223447000000      0.160284000000     -1.801272000000
  H                                                 0.696371000000      2.043708000000      0.558807000000
  H                                                 1.320400000000      2.500522000000     -1.031469000000
  H                                                 0.975282000000     -1.647267000000      1.457061000000
  H                                                 0.935555000000      0.032688000000      1.984412000000
  H                                                 2.410704000000     -0.916728000000      2.184750000000
  H                                                 3.285809000000     -1.064848000000     -1.467813000000
  H                                                 2.342708000000     -2.299836000000     -0.624139000000
  H                                                 3.778609000000     -1.614247000000      0.137775000000
  H                                                -0.605465000000     -1.280098000000     -0.869451000000
  H                                                -1.457335000000      1.479231000000      0.100875000000
  H                                                -4.108725000000      1.513428000000     -0.237285000000
  H                                                -3.738662000000      1.073953000000      1.422477000000
  H                                                -4.905923000000      0.094576000000      0.494443000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.563436   -0.729672    1.520857
      2          6           0        2.064169   -0.295175    0.147987
      3          6           0        0.913913    0.297997   -0.759656
      4          6           0       -0.457172   -0.234905   -0.607701
      5          6           0       -1.526747    0.432256   -0.171814
      6          6           0       -2.854030   -0.220333   -0.046417
      7          8           0       -3.035071   -1.392293   -0.312062
      8          6           0        2.915069   -1.378214   -0.489725
      9          6           0        2.663856    1.139073    0.184553
     10          6           0        1.305201    1.711207   -0.281468
     11          6           0       -3.981142    0.663387    0.438466
     12          1           0        3.441327    1.268677   -0.569534
     13          1           0        3.047149    1.480572    1.146370
     14          1           0        1.223447    0.160284   -1.801272
     15          1           0        0.696371    2.043708    0.558807
     16          1           0        1.320400    2.500522   -1.031469
     17          1           0        0.975282   -1.647267    1.457061
     18          1           0        0.935555    0.032688    1.984412
     19          1           0        2.410704   -0.916728    2.184750
     20          1           0        3.285809   -1.064848   -1.467813
     21          1           0        2.342708   -2.299836   -0.624139
     22          1           0        3.778609   -1.614247    0.137775
     23          1           0       -0.605465   -1.280098   -0.869451
     24          1           0       -1.457335    1.479231    0.100875
     25          1           0       -4.108725    1.513428   -0.237285
     26          1           0       -3.738662    1.073953    1.422477
     27          1           0       -4.905923    0.094576    0.494443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524563   0.000000
     3  C    2.584323   1.580746   0.000000
     4  C    2.976308   2.632842   1.478834   0.000000
     5  C    3.710046   3.677786   2.514042   1.333826   0.000000
     6  C    4.714847   4.922609   3.869725   2.461743   1.484344
     7  O    4.994489   5.236178   4.318784   2.841217   2.371432
     8  C    2.507979   1.517788   2.624342   3.562735   4.807140
     9  C    2.547320   1.555001   2.158990   3.500900   4.264709
    10  C    3.045152   2.187700   1.542379   2.645702   3.109288
    11  C    5.818464   6.127724   5.052778   3.784146   2.539669
    12  H    3.448131   2.203868   2.714072   4.178578   5.053666
    13  H    2.688275   2.261923   3.095499   4.277837   4.874126
    14  H    3.456032   2.171144   1.095326   2.098873   3.208219
    15  H    3.060879   2.740441   2.198449   2.807753   2.841274
    16  H    4.124026   3.124137   2.256154   3.289666   3.622565
    17  H    1.091776   2.174282   2.949856   2.882695   3.638379
    18  H    1.091014   2.180303   2.756949   2.954716   3.297256
    19  H    1.092523   2.157503   3.519299   4.060465   4.782956
    20  H    3.465698   2.166936   2.825725   3.929186   5.204001
    21  H    2.770142   2.166201   2.967921   3.479014   4.758320
    22  H    2.757241   2.163183   3.559290   4.516654   5.694807
    23  H    3.274244   3.021953   2.193387   1.087627   2.065820
    24  H    4.002582   3.943568   2.785434   2.107289   1.084128
    25  H    6.347911   6.443920   5.193942   4.065429   2.799970
    26  H    5.601338   6.096859   5.197140   4.074667   2.801090
    27  H    6.601933   6.989572   5.956898   4.595070   3.460745
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215250   0.000000
     8  C    5.900823   5.952808   0.000000
     9  C    5.687565   6.255574   2.618109   0.000000
    10  C    4.591873   5.335786   3.489924   1.546110   0.000000
    11  C    1.512103   2.384148   7.251717   6.666839   5.437063
    12  H    6.490171   7.006482   2.699879   1.090828   2.200420
    13  H    6.256176   6.882861   3.296500   1.090242   2.264133
    14  H    4.455357   4.771081   2.636042   2.641270   2.172982
    15  H    4.254119   5.146666   4.210889   2.197596   1.089630
    16  H    5.079296   5.885719   4.228599   2.266523   1.088922
    17  H    4.354333   4.390642   2.761365   3.497749   3.796140
    18  H    4.306883   4.803148   3.468497   2.729580   2.843990
    19  H    5.760251   6.009717   2.760466   2.879443   3.769670
    20  H    6.358553   6.434012   1.091926   2.823899   3.610638
    21  H    5.627094   5.462740   1.093184   3.547283   4.157200
    22  H    6.780031   6.832119   1.093238   2.970797   4.165592
    23  H    2.618498   2.495247   3.542313   4.201401   3.597815
    24  H    2.204761   3.302335   5.256588   4.136052   2.798500
    25  H    2.148632   3.098635   7.599934   6.796024   5.417718
    26  H    2.148348   3.096132   7.344506   6.521421   5.361910
    27  H    2.145218   2.522165   8.019078   7.647781   6.464797
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.515017   0.000000
    13  H    7.110963   1.773303   0.000000
    14  H    5.688346   2.768520   3.709130   0.000000
    15  H    4.878411   3.067346   2.487672   3.065138   0.000000
    16  H    5.800183   2.495828   2.960565   2.465504   1.768352
    17  H    5.562625   4.323331   3.764643   3.734376   3.808930
    18  H    5.192460   3.785393   2.693977   3.798758   2.476643
    19  H    6.811899   3.663913   2.688930   4.296266   3.787718
    20  H    7.709038   2.505280   3.656511   2.421875   4.524986
    21  H    7.064057   3.734197   4.233488   2.947979   4.793346
    22  H    8.092698   2.987523   3.336196   3.665749   4.801884
    23  H    4.108890   4.791944   5.002642   2.507570   3.844787
    24  H    2.673793   4.948805   4.624223   3.541804   2.273056
    25  H    1.093383   7.561321   7.288492   5.719188   4.899378
    26  H    1.093453   7.453742   6.803588   5.987476   4.621241
    27  H    1.087152   8.496302   8.099219   6.545518   5.932028
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.849334   0.000000
    18  H    3.915846   1.761229   0.000000
    19  H    4.817720   1.767386   1.765670   0.000000
    20  H    4.094520   3.772616   4.318117   3.758852   0.000000
    21  H    4.924883   2.574314   3.771642   3.131688   1.768169
    22  H    4.933685   3.098427   3.769008   2.558868   1.767089
    23  H    4.245974   2.836588   3.498955   4.307837   3.942890
    24  H    3.168762   4.187106   3.371368   5.004486   5.606294
    25  H    5.574987   6.221570   5.707301   7.367148   7.927221
    26  H    5.800953   5.443115   4.821650   6.508346   7.891225
    27  H    6.847195   6.208802   6.028823   7.577130   8.502893
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764187   0.000000
    23  H    3.129180   4.510683   0.000000
    24  H    5.408079   6.081618   3.046492   0.000000
    25  H    7.504107   8.493118   4.525069   2.673086   0.000000
    26  H    7.249424   8.086176   4.539979   2.667459   1.756387
    27  H    7.715380   8.858238   4.716341   3.736967   1.784402
                   26         27
    26  H    0.000000
    27  H    1.784075   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.563436   -0.729672    1.520857
      2          6           0        2.064169   -0.295175    0.147987
      3          6           0        0.913913    0.297997   -0.759656
      4          6           0       -0.457172   -0.234905   -0.607701
      5          6           0       -1.526747    0.432256   -0.171814
      6          6           0       -2.854030   -0.220333   -0.046417
      7          8           0       -3.035071   -1.392293   -0.312062
      8          6           0        2.915069   -1.378214   -0.489725
      9          6           0        2.663856    1.139073    0.184553
     10          6           0        1.305201    1.711207   -0.281468
     11          6           0       -3.981142    0.663387    0.438466
     12          1           0        3.441327    1.268677   -0.569534
     13          1           0        3.047149    1.480572    1.146370
     14          1           0        1.223447    0.160284   -1.801272
     15          1           0        0.696371    2.043708    0.558807
     16          1           0        1.320400    2.500522   -1.031469
     17          1           0        0.975282   -1.647267    1.457061
     18          1           0        0.935555    0.032688    1.984412
     19          1           0        2.410704   -0.916728    2.184750
     20          1           0        3.285809   -1.064848   -1.467813
     21          1           0        2.342708   -2.299836   -0.624139
     22          1           0        3.778609   -1.614247    0.137775
     23          1           0       -0.605465   -1.280098   -0.869451
     24          1           0       -1.457335    1.479231    0.100875
     25          1           0       -4.108725    1.513428   -0.237285
     26          1           0       -3.738662    1.073953    1.422477
     27          1           0       -4.905923    0.094576    0.494443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2319954           0.5287193           0.4855268
 Leave Link  202 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       611.0483324992 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0190782913 Hartrees.
 Nuclear repulsion after empirical dispersion term =      611.0292542079 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               7.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.78D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer04_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:11 2021, MaxMem=  5368709120 cpu:               5.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.432738817738    
 DIIS: error= 3.78D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.432738817738     IErMin= 1 ErrMin= 3.78D-03
 ErrMax= 3.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-02 BMatP= 1.13D-02
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.78D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.345 Goal=   None    Shift=    0.000
 GapD=    0.345 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.22D-03 MaxDP=5.35D-01              OVMax= 1.42D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.00D-03    CP:  1.08D+00
 E= -465.442096904473     Delta-E=       -0.009358086735 Rises=F Damp=F
 DIIS: error= 6.76D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.442096904473     IErMin= 2 ErrMin= 6.76D-04
 ErrMax= 6.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.78D-04 BMatP= 1.13D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.76D-03
 Coeff-Com: -0.289D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.287D-01 0.103D+01
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=8.28D-04 MaxDP=1.07D-01 DE=-9.36D-03 OVMax= 7.72D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.02D-04    CP:  1.10D+00  1.11D+00
 E= -465.442396331553     Delta-E=       -0.000299427080 Rises=F Damp=F
 DIIS: error= 6.15D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.442396331553     IErMin= 3 ErrMin= 6.15D-04
 ErrMax= 6.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.11D-04 BMatP= 2.78D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.15D-03
 Coeff-Com: -0.440D-01 0.484D+00 0.560D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.437D-01 0.481D+00 0.563D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=9.39D-05 MaxDP=6.04D-03 DE=-2.99D-04 OVMax= 3.67D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.10D-05    CP:  1.10D+00  1.12D+00  1.01D+00
 E= -465.442546357979     Delta-E=       -0.000150026426 Rises=F Damp=F
 DIIS: error= 2.09D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.442546357979     IErMin= 4 ErrMin= 2.09D-04
 ErrMax= 2.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-05 BMatP= 2.11D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.09D-03
 Coeff-Com: -0.163D-01 0.106D+00 0.249D+00 0.661D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.163D-01 0.106D+00 0.248D+00 0.662D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=3.97D-05 MaxDP=1.44D-03 DE=-1.50D-04 OVMax= 1.32D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.35D-05    CP:  1.10D+00  1.12D+00  1.05D+00  1.04D+00
 E= -465.442561183920     Delta-E=       -0.000014825941 Rises=F Damp=F
 DIIS: error= 6.03D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.442561183920     IErMin= 5 ErrMin= 6.03D-05
 ErrMax= 6.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-06 BMatP= 1.88D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.146D-02-0.424D-01-0.148D-01 0.252D+00 0.804D+00
 Coeff:      0.146D-02-0.424D-01-0.148D-01 0.252D+00 0.804D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.77D-05 MaxDP=5.38D-04 DE=-1.48D-05 OVMax= 5.26D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.33D-05    CP:  1.10D+00  1.12D+00  1.07D+00  1.05D+00  1.02D+00
 E= -465.442563468681     Delta-E=       -0.000002284761 Rises=F Damp=F
 DIIS: error= 7.72D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.442563468681     IErMin= 6 ErrMin= 7.72D-06
 ErrMax= 7.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.11D-08 BMatP= 2.03D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.103D-02-0.167D-01-0.129D-01 0.453D-01 0.232D+00 0.751D+00
 Coeff:      0.103D-02-0.167D-01-0.129D-01 0.453D-01 0.232D+00 0.751D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=4.69D-06 MaxDP=2.96D-04 DE=-2.28D-06 OVMax= 1.66D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.49D-06    CP:  1.10D+00  1.12D+00  1.08D+00  1.07D+00  1.05D+00
                    CP:  1.03D+00
 E= -465.442563559816     Delta-E=       -0.000000091135 Rises=F Damp=F
 DIIS: error= 2.85D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.442563559816     IErMin= 7 ErrMin= 2.85D-06
 ErrMax= 2.85D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-08 BMatP= 7.11D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.222D-03-0.131D-02-0.211D-02-0.136D-01-0.708D-02 0.279D+00
 Coeff-Com:  0.745D+00
 Coeff:      0.222D-03-0.131D-02-0.211D-02-0.136D-01-0.708D-02 0.279D+00
 Coeff:      0.745D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.72D-06 MaxDP=1.21D-04 DE=-9.11D-08 OVMax= 5.50D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.18D-06    CP:  1.10D+00  1.12D+00  1.08D+00  1.06D+00  1.06D+00
                    CP:  1.09D+00  1.01D+00
 E= -465.442563579191     Delta-E=       -0.000000019375 Rises=F Damp=F
 DIIS: error= 9.67D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.442563579191     IErMin= 8 ErrMin= 9.67D-07
 ErrMax= 9.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-09 BMatP= 1.34D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.840D-04 0.195D-02 0.170D-02-0.106D-01-0.340D-01-0.353D-01
 Coeff-Com:  0.170D+00 0.907D+00
 Coeff:     -0.840D-04 0.195D-02 0.170D-02-0.106D-01-0.340D-01-0.353D-01
 Coeff:      0.170D+00 0.907D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=6.22D-07 MaxDP=2.21D-05 DE=-1.94D-08 OVMax= 4.18D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.75D-07    CP:  1.10D+00  1.12D+00  1.08D+00  1.06D+00  1.07D+00
                    CP:  1.11D+00  1.05D+00  1.06D+00
 E= -465.442563581806     Delta-E=       -0.000000002615 Rises=F Damp=F
 DIIS: error= 4.03D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.442563581806     IErMin= 9 ErrMin= 4.03D-07
 ErrMax= 4.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-10 BMatP= 1.12D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.552D-04 0.886D-03 0.914D-03-0.300D-02-0.128D-01-0.398D-01
 Coeff-Com: -0.171D-01 0.361D+00 0.710D+00
 Coeff:     -0.552D-04 0.886D-03 0.914D-03-0.300D-02-0.128D-01-0.398D-01
 Coeff:     -0.171D-01 0.361D+00 0.710D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.96D-07 MaxDP=7.28D-06 DE=-2.61D-09 OVMax= 8.33D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.40D-07    CP:  1.10D+00  1.12D+00  1.08D+00  1.06D+00  1.07D+00
                    CP:  1.11D+00  1.07D+00  1.16D+00  1.01D+00
 E= -465.442563582119     Delta-E=       -0.000000000314 Rises=F Damp=F
 DIIS: error= 1.11D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.442563582119     IErMin=10 ErrMin= 1.11D-07
 ErrMax= 1.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-11 BMatP= 2.12D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.159D-05-0.619D-04-0.391D-05 0.736D-03 0.180D-02-0.276D-02
 Coeff-Com: -0.332D-01-0.234D-01 0.158D+00 0.898D+00
 Coeff:     -0.159D-05-0.619D-04-0.391D-05 0.736D-03 0.180D-02-0.276D-02
 Coeff:     -0.332D-01-0.234D-01 0.158D+00 0.898D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=9.36D-08 MaxDP=8.94D-06 DE=-3.14D-10 OVMax= 5.11D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.20D-08    CP:  1.10D+00  1.12D+00  1.08D+00  1.06D+00  1.07D+00
                    CP:  1.11D+00  1.06D+00  1.19D+00  1.06D+00  1.09D+00
 E= -465.442563582157     Delta-E=       -0.000000000037 Rises=F Damp=F
 DIIS: error= 4.91D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.442563582157     IErMin=11 ErrMin= 4.91D-08
 ErrMax= 4.91D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-12 BMatP= 1.50D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.584D-05-0.126D-03-0.106D-03 0.585D-03 0.206D-02 0.419D-02
 Coeff-Com: -0.106D-01-0.454D-01-0.490D-01 0.279D+00 0.819D+00
 Coeff:      0.584D-05-0.126D-03-0.106D-03 0.585D-03 0.206D-02 0.419D-02
 Coeff:     -0.106D-01-0.454D-01-0.490D-01 0.279D+00 0.819D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=3.11D-08 MaxDP=2.57D-06 DE=-3.73D-11 OVMax= 1.25D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.98D-08    CP:  1.10D+00  1.12D+00  1.08D+00  1.06D+00  1.07D+00
                    CP:  1.11D+00  1.06D+00  1.19D+00  1.07D+00  1.20D+00
                    CP:  1.14D+00
 E= -465.442563582174     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 1.19D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.442563582174     IErMin=12 ErrMin= 1.19D-08
 ErrMax= 1.19D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.77D-13 BMatP= 2.68D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.136D-05-0.195D-04-0.179D-04 0.462D-04 0.236D-03 0.124D-02
 Coeff-Com:  0.464D-03-0.385D-02-0.288D-01-0.258D-01 0.140D+00 0.917D+00
 Coeff:      0.136D-05-0.195D-04-0.179D-04 0.462D-04 0.236D-03 0.124D-02
 Coeff:      0.464D-03-0.385D-02-0.288D-01-0.258D-01 0.140D+00 0.917D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=9.26D-09 MaxDP=6.98D-07 DE=-1.77D-11 OVMax= 3.96D-07

 SCF Done:  E(RwB97XD) =  -465.442563582     A.U. after   12 cycles
            NFock= 12  Conv=0.93D-08     -V/T= 2.0119
 KE= 4.599794664420D+02 PE=-2.300070528838D+03 EE= 7.636192446055D+02
 Leave Link  502 at Fri Aug 13 10:51:08 2021, MaxMem=  5368709120 cpu:            1891.8 elap:             236.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.68638184D+02

 Leave Link  801 at Fri Aug 13 10:51:08 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 5.05D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.90D-01 5.36D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 3.76D-02 1.00D-01.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 3.24D-03 1.74D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 2.42D-04 2.75D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 1.30D-05 6.82D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 4.72D-07 1.20D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 1.62D-08 2.60D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 4.32D-10 3.46D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.10D-11 5.84D-07.
      8 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 2.64D-13 8.64D-08.
      2 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 8.25D-15 1.08D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.164694D+03
      2 -0.310971D+01  0.117645D+03
      3 -0.547170D+01  0.218569D+01  0.100804D+03
 Isotropic polarizability for W=    0.085645      127.71 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.656645D+02 -0.123257D+02  0.204435D+02
      2   0.152978D+02  0.168612D+02 -0.313040D+02
      3   0.503667D+02 -0.453549D+01  0.108605D+02
      4   0.388463D+01  0.225187D+02 -0.224337D+02
      5   0.281256D+02 -0.239439D+02  0.752579D+02
      6  -0.319293D+01 -0.315301D+01  0.122150D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.994021D-01  0.476680D+01 -0.695628D+01
      2   0.350942D+02 -0.106579D+02  0.293380D+02
      3   0.230763D+02 -0.119943D+02  0.116341D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.151017D+01  0.281510D+02 -0.167505D+02
      2  -0.768210D+01 -0.192408D+02  0.248912D+02
      3   0.162104D+02 -0.722087D+01  0.207510D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.110534D+00 -0.740665D+01 -0.409752D+01
      2  -0.740665D+01  0.957137D+00 -0.212712D+01
      3  -0.409752D+01 -0.212712D+01 -0.190921D+00
 OR G Eigenvalues:    -9.1165     1.8134     8.1799  Iso=    -0.2923
 Eigenvectors:
   (1)   0.672070   0.588922   0.448880
   (2)  -0.200898  -0.438444   0.876018
   (3)   0.712715  -0.678924  -0.176352
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2923 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -91.05 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 4.72D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.06D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 5.01D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 5.84D-02 7.86D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 3.05D-03 1.67D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 4.44D-05 1.11D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.04D-06 1.01D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.24D-08 1.20D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 1.10D-10 1.25D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 9.08D-13 1.08D-07.
     14 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 6.68D-15 6.86D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   254 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 1.87D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 1.87D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.08D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.164694D+03 -0.310971D+01 -0.547170D+01
      2  -0.310971D+01  0.117645D+03  0.218569D+01
      3  -0.547170D+01  0.218569D+01  0.100804D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.994021D-01  0.476680D+01 -0.695628D+01
      2   0.350942D+02 -0.106579D+02  0.293380D+02
      3   0.230763D+02 -0.119943D+02  0.116341D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.656645D+02 -0.123257D+02  0.204435D+02
      2   0.152978D+02  0.168612D+02 -0.313040D+02
      3   0.503667D+02 -0.453549D+01  0.108605D+02
      4   0.388463D+01  0.225187D+02 -0.224337D+02
      5   0.281256D+02 -0.239439D+02  0.752579D+02
      6  -0.319293D+01 -0.315301D+01  0.122150D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.313434D+01  0.115096D+01 -0.377727D+01  0.376241D+00  0.354686D+01
      2   0.115096D+01  0.360944D+01  0.218449D+01  0.354686D+01  0.212928D+01
      3  -0.377727D+01  0.218449D+01 -0.334160D+01  0.208885D+01 -0.150432D+01
                 6             7             8             9            10 
      1   0.208885D+01 -0.341814D+01  0.259374D+01 -0.303021D+01  0.218461D+02
      2  -0.150432D+01  0.259374D+01 -0.921779D+00 -0.984116D+00 -0.251340D+01
      3  -0.152201D+01 -0.303021D+01 -0.984116D+00  0.838479D+00  0.342508D+01
                11            12            13            14            15 
      1  -0.251340D+01  0.342508D+01 -0.104775D+02 -0.211697D+01 -0.260039D+01
      2  -0.260365D+01 -0.209252D+01 -0.211697D+01 -0.451920D+01  0.104167D+01
      3  -0.209252D+01  0.325672D+01 -0.260039D+01  0.104167D+01  0.947818D+00
                16            17            18            19            20 
      1   0.135238D+02 -0.305709D+01  0.530710D+01 -0.368264D+02  0.209452D+01
      2  -0.305709D+01  0.183325D+01  0.540129D+00  0.209452D+01 -0.216492D+01
      3   0.530710D+01  0.540129D+00 -0.237991D+01 -0.175426D+00  0.950834D+00
                21            22            23            24            25 
      1  -0.175426D+00  0.875023D+01 -0.225932D+01  0.223233D+01 -0.497803D+01
      2   0.950834D+00 -0.225932D+01 -0.219211D+01 -0.166521D+01  0.219827D+01
      3  -0.282872D+01  0.223233D+01 -0.166521D+01  0.180153D+01 -0.665998D+01
                26            27            28            29            30 
      1   0.219827D+01 -0.665998D+01  0.547240D+02 -0.508020D+00 -0.322881D+01
      2  -0.218266D+01  0.132312D+01 -0.508020D+00  0.182669D+01 -0.596035D+00
      3   0.132312D+01  0.485920D+01 -0.322881D+01 -0.596035D+00  0.222540D+01
                31            32            33            34            35 
      1  -0.129329D+02  0.199322D+01  0.553525D-01 -0.130709D+02 -0.161097D+01
      2   0.199322D+01  0.263021D+01  0.137117D+01 -0.161097D+01  0.932563D+00
      3   0.553525D-01  0.137117D+01 -0.889915D+00  0.666961D+01 -0.332673D+00
                36            37            38            39            40 
      1   0.666961D+01 -0.505668D+02 -0.265992D+01  0.330994D+01  0.123709D+02
      2  -0.332673D+00 -0.265992D+01 -0.113656D+01  0.821846D+00 -0.368857D+01
      3  -0.420911D+01  0.330994D+01  0.821846D+00 -0.152016D+01 -0.621883D+00
                41            42            43            44            45 
      1  -0.368857D+01 -0.621883D+00  0.145079D+02  0.144294D+01 -0.522892D+01
      2  -0.216380D+01 -0.128028D+01  0.144294D+01 -0.140017D+01  0.895527D+00
      3  -0.128028D+01  0.172271D+01 -0.522892D+01  0.895527D+00  0.231260D+01
                46            47            48            49            50 
      1   0.186059D+02  0.347437D+01 -0.133269D+01  0.235296D+02  0.859816D+01
      2   0.347437D+01 -0.138301D+00  0.150019D+00  0.859816D+01  0.629897D+01
      3  -0.133269D+01  0.150019D+00 -0.560374D+00  0.354524D-01  0.383309D+00
                51            52            53            54            55 
      1   0.354524D-01  0.243637D+01  0.194453D+01 -0.693435D+00 -0.676332D+01
      2   0.383309D+00  0.194453D+01  0.121941D+01  0.647053D+00 -0.330658D+01
      3  -0.144517D+00 -0.693435D+00  0.647053D+00  0.696229D+00 -0.421827D+00
                56            57            58            59            60 
      1  -0.330658D+01 -0.421827D+00 -0.248315D+02 -0.992990D+01  0.491628D+00
      2  -0.156234D+01 -0.469679D+00 -0.992990D+01 -0.113562D+02 -0.676946D+00
      3  -0.469679D+00 -0.481736D+00  0.491628D+00 -0.676946D+00 -0.166963D+01
                61            62            63            64            65 
      1  -0.586381D+01 -0.207920D+01 -0.173676D+01 -0.585593D+01  0.186438D+01
      2  -0.207920D+01 -0.118380D+01 -0.277123D+01  0.186438D+01  0.310562D+01
      3  -0.173676D+01 -0.277123D+01 -0.130923D+01 -0.238504D+01  0.261583D+01
                66            67            68            69            70 
      1  -0.238504D+01  0.157133D+01  0.240327D+01  0.278169D+01 -0.422963D+01
      2   0.261583D+01  0.240327D+01  0.344618D+01 -0.166833D+00  0.278978D+01
      3  -0.282609D+01  0.278169D+01 -0.166833D+00 -0.169044D+01 -0.379428D+01
                71            72            73            74            75 
      1   0.278978D+01 -0.379428D+01 -0.230500D+01 -0.223560D+01  0.163192D+01
      2  -0.560549D+00 -0.890953D+00 -0.223560D+01  0.189626D+01 -0.677822D+00
      3  -0.890953D+00  0.407254D+01  0.163192D+01 -0.677822D+00 -0.271605D+01
                76            77            78            79            80 
      1  -0.330883D+01  0.247153D+01 -0.158358D+01 -0.271437D+00 -0.122677D+01
      2   0.247153D+01  0.586867D+01 -0.330150D+00 -0.122677D+01 -0.913119D+00
      3  -0.158358D+01 -0.330150D+00 -0.158592D+01 -0.458960D+01 -0.217245D+01
                81            82            83            84            85 
      1  -0.458960D+01 -0.340421D+01  0.201175D+01 -0.232581D+01  0.252085D+01
      2  -0.217245D+01  0.201175D+01  0.180560D+01  0.156525D+01  0.232574D+01
      3  -0.137195D+01 -0.232581D+01  0.156525D+01  0.907374D+00  0.125203D+01
                86            87            88            89            90 
      1   0.232574D+01  0.125203D+01 -0.241250D+01  0.180087D+01  0.128652D+01
      2  -0.777476D+00  0.289840D+01  0.180087D+01  0.398205D+01 -0.232084D+01
      3   0.289840D+01 -0.201576D+01  0.128652D+01 -0.232084D+01 -0.528594D+00
                91            92            93            94            95 
      1   0.250657D+01  0.445111D+01  0.734666D+00  0.720222D+01  0.272072D+01
      2   0.445111D+01  0.659718D+00 -0.157497D+01  0.272072D+01 -0.389458D+01
      3   0.734666D+00 -0.157497D+01 -0.118305D+01 -0.158276D+01  0.777276D+00
                96            97            98            99           100 
      1  -0.158276D+01  0.155967D+01 -0.161385D+01  0.306093D-01  0.635306D+01
      2   0.777276D+00 -0.161385D+01  0.129874D+01 -0.368033D+01  0.178317D+01
      3  -0.299481D+01  0.306093D-01 -0.368033D+01 -0.318957D+01 -0.259230D+01
               101           102           103           104           105 
      1   0.178317D+01 -0.259230D+01  0.675978D+00  0.940165D+00 -0.263746D+00
      2   0.143969D+01 -0.550609D+00  0.940165D+00  0.334269D+00 -0.594127D+00
      3  -0.550609D+00  0.213725D+01 -0.263746D+00 -0.594127D+00  0.486659D+00
               106           107           108           109           110 
      1  -0.465908D+01 -0.907823D+00  0.288246D+01  0.264457D+01  0.149084D+01
      2  -0.907823D+00 -0.147029D+01  0.112050D+01  0.149084D+01  0.796326D+00
      3   0.288246D+01  0.112050D+01 -0.258039D+01  0.168699D+01  0.797970D+00
               111           112           113           114           115 
      1   0.168699D+01  0.796706D+00  0.120931D+01  0.953392D+00  0.411811D+01
      2   0.797970D+00  0.120931D+01  0.137619D+01  0.139902D+01  0.192736D+01
      3   0.188468D+01  0.953392D+00  0.139902D+01  0.137400D+01  0.381939D+01
               116           117           118           119           120 
      1   0.192736D+01  0.381939D+01  0.569893D+01 -0.721917D+00 -0.178493D+01
      2   0.250112D+01  0.219542D+01 -0.721917D+00  0.529801D+00 -0.100750D-01
      3   0.219542D+01  0.525449D+01 -0.178493D+01 -0.100750D-01  0.184289D+01
               121           122           123           124           125 
      1  -0.444172D+01  0.836671D+00  0.161064D-01 -0.360330D+01 -0.257750D+00
      2   0.836671D+00 -0.670954D-01 -0.958526D+00 -0.257750D+00 -0.122178D+01
      3   0.161064D-01 -0.958526D+00 -0.976969D+00  0.345741D+01 -0.744197D+00
               126           127           128           129           130 
      1   0.345741D+01 -0.148043D+01  0.414533D+00  0.116109D+01  0.530180D+00
      2  -0.744197D+00  0.414533D+00 -0.167183D+01 -0.810292D+00 -0.956727D+00
      3  -0.831811D+01  0.116109D+01 -0.810292D+00 -0.134318D+01 -0.533606D+00
               131           132           133           134           135 
      1  -0.956727D+00 -0.533606D+00  0.197638D+01 -0.756395D+00 -0.985911D+00
      2   0.200361D+01  0.782781D+00 -0.756395D+00  0.186118D+01  0.163199D+01
      3   0.782781D+00  0.108448D+01 -0.985911D+00  0.163199D+01  0.287160D+01
               136           137           138           139           140 
      1   0.695884D+00  0.990576D+00 -0.395985D+00  0.365059D+00  0.148038D+00
      2   0.990576D+00 -0.689184D-01 -0.970938D-01  0.148038D+00  0.703993D+01
      3  -0.395985D+00 -0.970938D-01 -0.107135D+00 -0.151949D+00 -0.327120D+01
               141           142           143           144           145 
      1  -0.151949D+00 -0.938446D+00 -0.324446D+00 -0.221591D+00 -0.204494D+01
      2  -0.327120D+01 -0.324446D+00 -0.468264D+01  0.327815D+01 -0.160628D+01
      3   0.234523D+01 -0.221591D+00  0.327815D+01 -0.310591D+01  0.507263D+00
               146           147           148           149           150 
      1  -0.160628D+01  0.507263D+00 -0.154267D+01 -0.203715D+01  0.166843D+00
      2  -0.267631D+01  0.476725D+00 -0.203715D+01 -0.563611D+01  0.137223D+01
      3   0.476725D+00 -0.743434D+00  0.166843D+00  0.137223D+01 -0.148803D+01
               151           152           153           154           155 
      1  -0.341855D+00 -0.356515D-01 -0.257812D+00 -0.220141D+01  0.944495D+00
      2  -0.356515D-01  0.314257D-01 -0.563468D+00  0.944495D+00 -0.155130D+01
      3  -0.257812D+00 -0.563468D+00  0.150878D+00  0.128310D+01 -0.682890D+00
               156           157           158           159           160 
      1   0.128310D+01  0.146057D+01 -0.139002D+01 -0.853379D+00  0.999745D+00
      2  -0.682890D+00 -0.139002D+01  0.218909D+01  0.111012D+01 -0.711344D+00
      3  -0.168853D+01 -0.853379D+00  0.111012D+01  0.246133D+01 -0.944778D+00
               161           162           163           164           165 
      1  -0.711344D+00 -0.944778D+00  0.530044D+01 -0.138713D+01  0.362315D+01
      2   0.102247D+01  0.117945D+01 -0.138713D+01  0.117785D+01 -0.137801D+01
      3   0.117945D+01  0.240588D+01  0.362315D+01 -0.137801D+01  0.431592D+01
               166           167           168           169           170 
      1  -0.493933D+00  0.674709D+00 -0.728768D+00  0.239157D+01 -0.100655D+01
      2   0.674709D+00 -0.108251D+01  0.117168D+01 -0.100655D+01  0.101837D+01
      3  -0.728768D+00  0.117168D+01 -0.682397D+00  0.309414D+01 -0.113147D+01
               171           172           173           174           175 
      1   0.309414D+01  0.240550D+01 -0.145526D+00 -0.162328D+01  0.105663D+01
      2  -0.113147D+01 -0.145526D+00  0.896255D-01 -0.223965D+00 -0.567771D-01
      3   0.444930D+01 -0.162328D+01 -0.223965D+00  0.214681D+01 -0.848837D+00
               176           177           178           179           180 
      1  -0.567771D-01 -0.848837D+00 -0.250395D+01  0.112248D+00  0.321331D+01
      2   0.484139D+00 -0.780624D+00  0.112248D+00 -0.139989D+01  0.119635D-01
      3  -0.780624D+00  0.148749D+01  0.321331D+01  0.119635D-01 -0.669775D+01
               181           182           183           184           185 
      1  -0.111580D+01 -0.105571D+01  0.894366D-01 -0.153572D+01 -0.626365D+00
      2  -0.105571D+01 -0.334247D+01 -0.800058D+00 -0.626365D+00 -0.773558D+01
      3   0.894366D-01 -0.800058D+00 -0.609514D+00 -0.227220D+00 -0.121868D+01
               186           187           188           189           190 
      1  -0.227220D+00  0.355492D+00 -0.424069D+00  0.155071D+00  0.794428D+01
      2  -0.121868D+01 -0.424069D+00 -0.736693D+00 -0.101871D+01 -0.304838D+01
      3  -0.113224D+01  0.155071D+00 -0.101871D+01 -0.856749D+00  0.204429D+01
               191           192           193           194           195 
      1  -0.304838D+01  0.204429D+01 -0.142735D+01  0.159378D+01 -0.748678D+00
      2   0.179824D+01 -0.833497D+00  0.159378D+01 -0.179791D+01  0.584237D+00
      3  -0.833497D+00  0.189830D+01 -0.748678D+00  0.584237D+00 -0.272673D+00
               196           197           198           199           200 
      1   0.482113D+01 -0.198980D+01  0.226791D+01  0.319370D+00 -0.862213D+00
      2  -0.198980D+01  0.178256D+01 -0.735346D+00 -0.862213D+00 -0.428259D+00
      3   0.226791D+01 -0.735346D+00  0.165633D+01 -0.624717D+00 -0.119206D+00
               201           202           203           204           205 
      1  -0.624717D+00 -0.194149D+01 -0.163311D-01  0.284200D+00 -0.199655D+01
      2  -0.119206D+00 -0.163311D-01 -0.562223D+01 -0.164159D+01  0.388519D+00
      3  -0.494753D-01  0.284200D+00 -0.164159D+01 -0.155051D+01 -0.832898D+00
               206           207           208           209           210 
      1   0.388519D+00 -0.832898D+00 -0.849239D+00  0.124464D+01  0.562760D+00
      2  -0.123892D+01 -0.109842D+01  0.124464D+01  0.239304D+00 -0.117154D+00
      3  -0.109842D+01 -0.709305D+00  0.562760D+00 -0.117154D+00 -0.150025D+00
               211           212           213           214           215 
      1   0.218432D+01 -0.391372D+00 -0.320102D+00  0.818211D+00 -0.499210D+00
      2  -0.391372D+00  0.583038D+01  0.112550D+01 -0.499210D+00  0.134579D+01
      3  -0.320102D+00  0.112550D+01  0.959079D+00  0.352406D+00  0.575763D+00
               216           217           218           219           220 
      1   0.352406D+00 -0.249888D+01  0.522918D+00 -0.764916D+00  0.311982D+01
      2   0.575763D+00  0.522918D+00 -0.655007D+00  0.563103D+00 -0.296850D+01
      3   0.186169D+00 -0.764916D+00  0.563103D+00 -0.242799D+00  0.399985D+00
               221           222           223           224           225 
      1  -0.296850D+01  0.399985D+00 -0.245066D+01  0.160156D+01 -0.105003D+01
      2   0.603691D+01 -0.171661D+01  0.160156D+01 -0.297517D+01  0.225836D+01
      3  -0.171661D+01  0.226730D+01 -0.105003D+01  0.225836D+01 -0.186878D+01
               226           227           228           229           230 
      1  -0.543891D+00 -0.388369D+00  0.601611D+00  0.116519D+01 -0.119142D+01
      2  -0.388369D+00  0.532408D+00  0.598855D+00 -0.119142D+01  0.258751D+01
      3   0.601611D+00  0.598855D+00  0.942439D+00 -0.332203D+00  0.169712D+01
               231           232           233           234           235 
      1  -0.332203D+00  0.296519D+01 -0.592601D+00 -0.135974D+01 -0.945399D+01
      2   0.169712D+01 -0.592601D+00  0.212918D+01  0.283484D+01 -0.199920D+01
      3   0.229797D+01 -0.135974D+01  0.283484D+01  0.679483D+01  0.771705D+00
               236           237           238           239           240 
      1  -0.199920D+01  0.771705D+00 -0.474223D+01 -0.183274D+01  0.639236D+00
      2  -0.150671D+01  0.308955D+00 -0.183274D+01 -0.141057D+01  0.906101D-01
      3   0.308955D+00 -0.116591D+01  0.639236D+00  0.906101D-01 -0.619750D+00
               241           242           243 
      1   0.264794D+00  0.293704D+00 -0.115000D+01
      2   0.293704D+00 -0.706352D-01 -0.480447D-01
      3  -0.115000D+01 -0.480447D-01  0.576849D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.243702D+01  0.103622D+02  0.170495D+01  0.103993D+02  0.367400D+01
      2  -0.713244D+01  0.720956D+00  0.463997D+01  0.233521D+01 -0.105091D+02
      3  -0.105952D+01 -0.980874D+01  0.732718D+00 -0.518010D+01 -0.775768D+01
                 6             7             8             9            10 
      1  -0.755887D+01  0.213700D+01 -0.139621D+01 -0.316947D+01  0.616020D+01
      2  -0.704323D+01 -0.153661D+01 -0.607354D+01  0.668865D+01  0.255046D+02
      3  -0.303298D+00 -0.147977D+01 -0.557807D+00  0.424126D+01  0.455319D+01
                11            12            13            14            15 
      1  -0.483672D+01  0.194362D+01 -0.337478D+01 -0.565421D-01 -0.361681D+01
      2  -0.695994D+01  0.120501D+02 -0.155549D+02  0.489695D+01  0.236004D+01
      3   0.467282D+01  0.215891D+01  0.107121D+02  0.146453D+02 -0.129223D+01
                16            17            18            19            20 
      1   0.869250D+00  0.577207D+01 -0.948479D+00 -0.744911D+01  0.316070D+01
      2   0.141294D+02  0.204636D+01 -0.279604D+01 -0.273221D+02  0.377626D+01
      3   0.442496D+01 -0.163359D+00 -0.343131D+01 -0.617508D+01 -0.444957D+01
                21            22            23            24            25 
      1  -0.239297D+01  0.189934D+01  0.564287D+01 -0.109150D+01 -0.166777D+01
      2   0.650528D+00  0.121208D+02 -0.402792D+01  0.430478D+01 -0.190430D+02
      3   0.603060D+00  0.934507D+01 -0.929201D+00  0.104209D+01  0.810012D+00
                26            27            28            29            30 
      1   0.411651D+01 -0.302703D+01  0.702703D+01 -0.901762D+00  0.159508D+01
      2   0.306822D+01 -0.329802D+01  0.315118D+02 -0.948914D-03 -0.676884D+01
      3   0.102693D+01 -0.131031D+01  0.129629D+02  0.329042D+01 -0.262101D+01
                31            32            33            34            35 
      1   0.164172D+01 -0.331754D+01 -0.597163D+00 -0.223887D+01  0.260679D+01
      2  -0.681022D+01  0.133746D+01  0.603064D-01 -0.386722D+02 -0.507085D+00
      3   0.108726D+02  0.102556D+01 -0.522397D+00 -0.770663D+01 -0.184933D+01
                36            37            38            39            40 
      1   0.275724D+01 -0.241495D+01  0.113966D+00 -0.868606D-01  0.295723D+01
      2   0.811106D+01 -0.304942D+02 -0.219317D+01  0.103554D+02  0.689207D+01
      3   0.175664D+01 -0.231443D+02 -0.117080D+02  0.269974D+01  0.100987D+02
                41            42            43            44            45 
      1  -0.826824D+00 -0.336716D-01  0.824232D+01  0.475621D+01 -0.114526D+01
      2  -0.255169D+00 -0.634971D+00  0.160868D+02 -0.158931D+01 -0.834632D+01
      3  -0.464213D+01 -0.329196D+01  0.771226D+01 -0.780467D+00 -0.288647D+00
                46            47            48            49            50 
      1  -0.786680D+00  0.254649D+01 -0.172090D+01  0.311656D+01 -0.183715D+01
      2   0.529499D+01  0.489773D+01 -0.115836D+02  0.117526D+02  0.126433D+01
      3   0.627413D+01  0.380814D+01 -0.203564D+01  0.394215D+02  0.267683D+02
                51            52            53            54            55 
      1   0.431916D+01  0.442655D+01  0.762153D+01  0.350192D+01  0.200340D+01
      2  -0.760129D+01 -0.230383D+02 -0.954453D+00  0.387087D+01 -0.853400D+00
      3  -0.116489D+01  0.298108D+00  0.386757D+01  0.190404D+01 -0.321013D+01
                56            57            58            59            60 
      1  -0.336398D+00 -0.261974D+00 -0.707632D+00  0.345243D+00 -0.939278D+01
      2  -0.269132D+00  0.747165D+01 -0.110754D+02 -0.874583D+00  0.122125D+02
      3  -0.863225D+01 -0.142477D+01 -0.224581D+02 -0.424546D+02 -0.204301D+01
                61            62            63            64            65 
      1   0.573657D-01  0.109135D+01 -0.221589D+01 -0.501273D+01  0.349510D+01
      2   0.562750D+01  0.675328D+01  0.290593D+01 -0.103093D+02  0.101464D+02
      3  -0.444247D+01 -0.552607D+01 -0.775789D+01  0.180453D+01 -0.169079D+02
                66            67            68            69            70 
      1  -0.709683D+01  0.352620D+01 -0.294413D+01 -0.427076D+01 -0.994315D+01
      2  -0.895703D+01  0.909409D+01  0.616449D+00 -0.343233D+01 -0.168379D+02
      3  -0.550784D+01 -0.615236D+01 -0.186630D+02 -0.433668D+01 -0.442709D+01
                71            72            73            74            75 
      1   0.152545D+01  0.811905D+01 -0.401747D+01  0.319137D+01  0.373330D+01
      2  -0.253990D+00  0.111241D+02  0.217087D+01 -0.127836D+01 -0.828713D+01
      3  -0.432151D+01  0.901307D+01  0.801809D+01 -0.148640D+02  0.723006D+01
                76            77            78            79            80 
      1   0.205024D+01  0.326008D+01  0.388125D+00  0.757868D+01  0.621064D+01
      2  -0.461585D+01 -0.173116D+01 -0.566859D+01 -0.209675D+02 -0.824662D+01
      3  -0.795182D+01 -0.156357D+02 -0.410142D-02  0.782193D+01 -0.942927D+00
                81            82            83            84            85 
      1   0.187021D+01  0.502443D+01 -0.572069D+01 -0.256564D+01 -0.822695D+01
      2  -0.546947D+01 -0.451305D+01  0.250817D+01  0.252815D+01  0.505570D+01
      3   0.178231D+01 -0.116713D+02 -0.685547D+00 -0.849414D+01  0.721933D+01
                86            87            88            89            90 
      1  -0.987257D+01  0.814241D+00 -0.197215D+01  0.796838D+01  0.136112D+01
      2   0.393102D+01 -0.113576D+01 -0.179905D+01 -0.788047D-01 -0.305037D+00
      3   0.493698D+01  0.945356D+00 -0.115585D+02  0.303967D+00  0.599354D+01
                91            92            93            94            95 
      1   0.772287D+00  0.140994D+01  0.228230D+01  0.422195D+01 -0.326178D+01
      2  -0.463672D+01  0.527090D+01  0.109891D+02  0.672342D+01 -0.502674D+01
      3   0.191299D+02  0.238252D+01 -0.576725D+01  0.189269D+02 -0.140780D+02
                96            97            98            99           100 
      1   0.854735D+00 -0.593358D+01  0.838321D+01  0.166063D+01  0.362274D+01
      2   0.118816D+02 -0.930715D+01  0.203553D+02  0.149626D+02 -0.783685D+01
      3   0.186688D+01 -0.563957D+01  0.521406D+01 -0.162167D+02  0.371842D+01
               101           102           103           104           105 
      1  -0.210301D+00 -0.346398D+01  0.397893D+00  0.627704D+00 -0.158088D+01
      2  -0.146711D+01  0.893776D+01 -0.117732D+01 -0.167432D+01  0.176860D+01
      3  -0.393217D+01 -0.196741D+01 -0.221371D-01  0.693341D+00  0.150419D+01
               106           107           108           109           110 
      1  -0.369453D+01  0.183800D+00  0.395156D+01 -0.191035D+01 -0.170596D+00
      2   0.669054D+01  0.299686D+01 -0.872800D+01  0.292274D+01  0.214846D+01
      3  -0.363379D+01  0.484026D+01  0.500884D+00  0.169522D+00 -0.192096D+01
               111           112           113           114           115 
      1  -0.287400D+01 -0.147035D+01 -0.118626D+01 -0.261536D+01 -0.454927D+01
      2   0.688194D+01  0.159641D+01  0.438099D+01  0.455340D+01  0.880945D+01
      3  -0.266635D+00 -0.128351D+00 -0.268217D+01 -0.272618D+01 -0.215468D+00
               116           117           118           119           120 
      1   0.670117D+00 -0.776551D+01  0.770883D+00 -0.142676D+01 -0.415121D+00
      2   0.639192D+01  0.167711D+02  0.422180D+01 -0.111506D+01  0.115375D+01
      3  -0.679182D+01 -0.174221D+01  0.149755D+01 -0.161308D+01 -0.632009D+00
               121           122           123           124           125 
      1  -0.268315D+01 -0.108464D-01  0.547820D+00  0.932605D+00  0.393582D+01
      2  -0.475653D+01  0.473414D+00 -0.727830D+00 -0.335771D+01 -0.811098D+00
      3   0.105109D+01 -0.163184D+00  0.561048D+00 -0.803435D+00  0.157232D+01
               126           127           128           129           130 
      1   0.295524D+01 -0.310224D+01  0.181289D+01  0.401585D+01  0.167901D+01
      2  -0.440342D+01  0.236775D+01 -0.847588D+00 -0.420368D+00 -0.105523D+01
      3   0.113945D+01 -0.643823D+01  0.184685D+01  0.478867D+01  0.387596D+01
               131           132           133           134           135 
      1  -0.176821D+01 -0.352178D+01  0.293244D+01 -0.194571D+01 -0.831745D+01
      2   0.912077D+00  0.904100D+00 -0.323374D+01  0.179069D+01  0.248498D+01
      3  -0.505062D+01 -0.257233D+01  0.780741D+01 -0.396315D+01 -0.583450D+01
               136           137           138           139           140 
      1   0.213599D+00  0.479834D+00  0.491282D+00 -0.334976D+00  0.341433D+01
      2   0.638089D-01  0.245312D+00  0.399051D+00  0.898752D+00 -0.309147D+01
      3  -0.122390D+01  0.113239D+01 -0.467591D+00  0.459517D+01 -0.989276D+01
               141           142           143           144           145 
      1  -0.633185D+01  0.721075D+00 -0.357426D+01  0.666542D+01 -0.338985D+01
      2   0.229837D+01 -0.226411D+01  0.325227D+01 -0.330653D+01  0.627069D+01
      3   0.441605D+01 -0.252096D+01  0.563910D+01 -0.537724D+01  0.723326D+01
               146           147           148           149           150 
      1  -0.534034D+01 -0.127662D+01 -0.447751D+01 -0.928590D+01 -0.184704D+01
      2   0.431642D+01 -0.110233D+01  0.500193D+01  0.739843D+01 -0.183356D+01
      3   0.519423D+01 -0.115498D+01  0.809721D+01  0.107717D+02 -0.259252D+01
               151           152           153           154           155 
      1  -0.101517D+01  0.692078D+00 -0.139437D+01  0.403919D+01 -0.545034D+01
      2  -0.134972D+01 -0.763163D+00  0.636363D+00  0.943899D+01 -0.404522D+01
      3   0.110085D+01  0.215653D+00  0.141198D+01 -0.346032D+00  0.226047D+00
               156           157           158           159           160 
      1  -0.207815D+01 -0.451727D+01  0.751729D+01  0.216999D+01 -0.219799D+01
      2  -0.378181D+01 -0.624118D+01  0.565950D+01  0.533731D+01 -0.513637D+01
      3  -0.172894D+00  0.244537D+01 -0.103798D+01 -0.797283D+00  0.338952D+00
               161           162           163           164           165 
      1   0.433429D+01  0.377718D+01  0.105037D+01  0.195928D+01  0.215245D+01
      2   0.364092D+01  0.549720D+01 -0.333225D+01 -0.590931D+00  0.416066D+01
      3  -0.129654D+00 -0.103218D+01 -0.194820D+01 -0.282080D+01 -0.148628D+00
               166           167           168           169           170 
      1   0.264833D+00 -0.962727D+00  0.203182D+00  0.116884D+01  0.261890D+01
      2   0.750980D+00  0.141607D+01  0.141794D+00 -0.293288D+01 -0.303619D-01
      3   0.300862D+00  0.180366D+01 -0.133197D+01 -0.168590D+01 -0.176773D+01
               171           172           173           174           175 
      1   0.276141D+01 -0.255487D+01 -0.118763D+01  0.394089D+01 -0.852320D+00
      2   0.335636D+01 -0.309284D+01 -0.702861D+00  0.684754D+01 -0.112268D+01
      3  -0.761498D+00 -0.267212D+01 -0.113057D+01  0.320627D+01 -0.326042D-01
               176           177           178           179           180 
      1  -0.241481D+01  0.196901D+01  0.473937D+01  0.425556D+01 -0.108599D+02
      2  -0.251354D+01  0.439549D+01  0.547444D+01  0.648185D+00 -0.194052D+02
      3  -0.199361D+01  0.341482D+01  0.336729D+01  0.565507D+01 -0.485666D+01
               181           182           183           184           185 
      1   0.856467D+00  0.426427D+00 -0.167986D+01  0.306274D+00  0.235311D+01
      2  -0.106526D+01 -0.290346D+01 -0.655789D+00 -0.205571D+01 -0.435012D+01
      3   0.780658D+01  0.117391D+02  0.226184D+01  0.795624D+01  0.263323D+02
               186           187           188           189           190 
      1  -0.378061D+01  0.253306D+00 -0.136555D-01 -0.127577D+01  0.520614D+01
      2  -0.293867D+01 -0.438541D+00 -0.301204D+01 -0.222982D+01  0.988145D+01
      3   0.447077D+01  0.152152D+01  0.349013D+01  0.300156D+01 -0.359726D+01
               191           192           193           194           195 
      1  -0.188886D+01  0.457814D+01 -0.226201D+01  0.164003D+01 -0.177273D+01
      2  -0.429584D+01  0.995853D+01 -0.359451D+01  0.282516D+01 -0.183712D+01
      3  -0.362091D+01 -0.628716D+00 -0.537069D+00  0.396797D+01 -0.517518D+00
               196           197           198           199           200 
      1   0.421027D+01 -0.450840D+00  0.353946D+01 -0.844291D+00  0.645437D+00
      2   0.805537D+01 -0.289681D+01  0.768976D+01  0.554450D+00 -0.644309D+00
      3  -0.476853D+00 -0.380897D+01 -0.114854D+01  0.139794D+01  0.103083D+00
               201           202           203           204           205 
      1  -0.637146D+00  0.110998D+01  0.532195D+01 -0.250598D+01 -0.574345D+01
      2  -0.517390D-01 -0.228378D+01 -0.427733D+00  0.149815D+01 -0.158330D+01
      3  -0.433647D-01  0.433937D+01 -0.310109D+01  0.236576D+00  0.145285D+01
               206           207           208           209           210 
      1   0.114860D+01  0.408835D+00 -0.166234D+01  0.122218D+00  0.183608D+00
      2   0.105546D+01 -0.523298D-01 -0.364876D+01  0.227625D+00  0.551337D+00
      3  -0.140345D+00 -0.137473D+01  0.332148D+01  0.160320D+01  0.165606D+00
               211           212           213           214           215 
      1   0.157166D+01 -0.842060D+00 -0.381963D+01 -0.579103D+01  0.295086D+00
      2   0.223668D+01 -0.291428D+01 -0.249764D+01 -0.886340D+01 -0.150613D+01
      3   0.439564D+01  0.109678D+02  0.216013D+01  0.111854D+01  0.223371D+01
               216           217           218           219           220 
      1   0.654718D-01  0.289302D+00 -0.821491D+00  0.628181D+00 -0.238976D+01
      2   0.517205D+00  0.146004D+01 -0.222972D+01  0.258888D+01 -0.354784D+01
      3   0.118245D+01  0.449359D+00 -0.326917D+01  0.166224D+01 -0.785661D+01
               221           222           223           224           225 
      1   0.453602D+01 -0.433619D+01  0.241198D+01 -0.265156D+01  0.328511D+01
      2   0.950308D+01 -0.968187D+01  0.666396D+01 -0.109962D+02  0.800723D+01
      3   0.231436D+02 -0.713589D+01  0.422819D+01 -0.118021D+02  0.885533D+01
               226           227           228           229           230 
      1   0.292013D+00 -0.217242D+00 -0.972528D+00  0.684465D-02 -0.284693D-01
      2  -0.574262D+00 -0.335147D+01 -0.466993D+01  0.249302D+00 -0.748773D+01
      3  -0.562554D+00  0.828184D+00  0.285628D+01 -0.256589D+01  0.941642D+01
               231           232           233           234           235 
      1  -0.225567D+01  0.153838D+01  0.700087D-01 -0.512949D+01 -0.174612D+01
      2  -0.988969D+01  0.392409D+01 -0.130043D+02 -0.296672D+02  0.411978D+00
      3   0.675242D+01  0.943245D+00  0.837423D+01  0.109483D+02 -0.147358D+02
               236           237           238           239           240 
      1  -0.121671D+01  0.272936D+00 -0.111677D+01 -0.809269D+00 -0.742659D+00
      2  -0.270696D+00  0.651988D+01 -0.816802D+00  0.268925D+00  0.320611D+01
      3  -0.102875D+02  0.187552D+01 -0.840605D+01 -0.794398D+01  0.526102D+00
               241           242           243 
      1   0.975169D+00  0.600074D+00 -0.339340D+00
      2   0.253799D+01  0.277228D+00 -0.188031D+01
      3   0.164435D+01  0.112250D+00 -0.598344D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.512291D+01  0.479442D+01 -0.779190D+01  0.232252D+01  0.187611D+02
      2   0.694225D+01 -0.176598D+02  0.115920D+02 -0.139748D+02 -0.119580D+02
      3  -0.120652D+02  0.128654D+02 -0.380006D+01  0.116523D+02 -0.680314D+01
      4   0.712315D+01  0.786142D+01  0.121476D+02  0.960650D+01 -0.874290D+00
      5  -0.206657D+02  0.114161D+02 -0.248890D+02  0.108690D+02  0.407291D+01
      6   0.655044D+01  0.683916D+01  0.116295D+02  0.738179D+01  0.622437D+01
                 6             7             8             9            10 
      1   0.950378D+01 -0.528892D+01  0.121882D+02 -0.180925D+02 -0.119625D+01
      2   0.274311D+00  0.912814D+01 -0.199560D+01  0.930895D+01 -0.213310D+01
      3  -0.977809D+01 -0.383922D+01 -0.101926D+02  0.878356D+01  0.332935D+01
      4  -0.605091D+01  0.144148D+02 -0.621177D+01  0.270620D+01 -0.179307D+02
      5   0.105502D+01 -0.240381D+02  0.491375D+01 -0.792318D+01  0.909136D+01
      6  -0.243182D+01  0.109491D+02 -0.159132D+01 -0.630218D+01 -0.785164D+01
                11            12            13            14            15 
      1  -0.648745D+01  0.155924D+01  0.219545D+01 -0.226648D+02 -0.905804D+01
      2   0.946773D+01 -0.136841D+01  0.388702D+00  0.100006D+02  0.190893D+01
      3  -0.298029D+01 -0.190832D+00 -0.258415D+01  0.126642D+02  0.714911D+01
      4  -0.131213D+02 -0.120985D+02 -0.148746D+02 -0.211416D+02  0.570669D+01
      5  -0.105923D+02  0.133279D+02 -0.114711D+02  0.946793D+00  0.607814D+01
      6   0.656609D+01 -0.210632D+01  0.221813D+01 -0.939104D+01 -0.123857D+01
                16            17            18            19            20 
      1   0.289743D+01 -0.146967D+02  0.140396D+02  0.311427D+02  0.104315D+02
      2   0.424468D+01  0.534824D+01 -0.100092D+02 -0.125099D+02 -0.100689D+02
      3  -0.714212D+01  0.934842D+01 -0.403040D+01 -0.186328D+02 -0.362576D+00
      4  -0.204033D+02  0.113181D+02  0.150994D+01  0.229660D+02 -0.463369D+01
      5   0.203526D+02  0.213162D+01 -0.886813D+01  0.111867D+02  0.267415D+01
      6  -0.277583D+01 -0.720763D+00  0.757171D+01  0.823754D+01  0.116971D+01
                21            22            23            24            25 
      1  -0.441440D+01  0.370825D+01  0.267087D+01  0.315683D+01 -0.196267D+02
      2  -0.260499D+01 -0.410913D+01 -0.687721D+01 -0.118711D+01 -0.687378D+01
      3   0.701940D+01  0.400880D+00  0.420634D+01 -0.196972D+01  0.265004D+02
      4   0.448319D+01 -0.672868D+01 -0.308725D+01 -0.483919D+01  0.118694D+02
      5  -0.620402D+01  0.509799D+01 -0.113425D+01  0.323374D+01 -0.174898D+02
      6  -0.190657D+00  0.150401D+01  0.375550D+01  0.298657D+01 -0.234657D+01
                26            27            28            29            30 
      1   0.708380D+01  0.103743D+02 -0.110633D+03 -0.201479D+01  0.777871D+01
      2  -0.528577D+01  0.126918D+02  0.427172D+02 -0.930361D+00 -0.258654D+01
      3  -0.179802D+01 -0.230661D+02  0.679155D+02  0.294516D+01 -0.519217D+01
      4  -0.882624D+01  0.275569D+01 -0.157869D+02 -0.797573D+01  0.176541D+01
      5   0.303750D+01  0.153802D+02 -0.982850D+01  0.156812D+01 -0.794382D+01
      6   0.328342D+01 -0.905910D+00 -0.777347D+01 -0.297854D+01  0.126379D+01
                31            32            33            34            35 
      1   0.389464D+02  0.312805D+01  0.296166D+01  0.367972D+02  0.689803D+01
      2  -0.174420D+02 -0.267460D+01 -0.185883D+01 -0.816125D+01 -0.504920D+01
      3  -0.215044D+02 -0.453449D+00 -0.110282D+01 -0.286360D+02 -0.184883D+01
      4   0.933089D+00 -0.328454D+01 -0.174274D+01  0.302251D+01  0.464824D+01
      5  -0.219608D+01 -0.272638D+01  0.841279D+00 -0.267813D+01 -0.135502D+01
      6  -0.128023D+01 -0.879787D+01 -0.176205D+01 -0.702916D+00  0.328382D+01
                36            37            38            39            40 
      1  -0.272470D+02  0.135577D+03  0.819825D+01 -0.132192D+02 -0.345672D+02
      2  -0.809148D+00 -0.483529D+02 -0.164410D+01  0.360673D+01  0.160009D+02
      3   0.280561D+02 -0.872244D+02 -0.655415D+01  0.961247D+01  0.185663D+02
      4  -0.186064D+01  0.237141D+02  0.194247D+02 -0.361065D+01  0.209421D+02
      5   0.887142D+01  0.540191D+01 -0.967821D+00  0.153853D+02 -0.719148D+00
      6  -0.266001D+01  0.775448D+01  0.264661D+01 -0.334926D+01  0.223628D+01
                41            42            43            44            45 
      1   0.947366D+01  0.701570D+01 -0.344517D+02  0.166927D+00  0.504735D+01
      2  -0.847803D+01 -0.304651D+01  0.151268D+02 -0.219884D+01 -0.679249D+01
      3  -0.995623D+00 -0.396919D+01  0.193249D+02  0.203191D+01  0.174514D+01
      4   0.726305D+01  0.297730D+01 -0.107638D+02  0.155722D+01 -0.280536D+01
      5   0.542753D+01 -0.492796D+01  0.245118D+02 -0.405654D+01 -0.518933D+01
      6  -0.269956D+01  0.391275D+01 -0.100431D+02  0.548611D+01 -0.662650D+00
                46            47            48            49            50 
      1  -0.583926D+02  0.423982D+01  0.422763D+01 -0.471835D+02 -0.184270D+02
      2   0.165050D+02 -0.528445D+01 -0.542291D+01  0.660409D+01 -0.450493D+01
      3   0.418876D+02  0.104463D+01  0.119528D+01  0.405794D+02  0.229320D+02
      4  -0.123120D+02 -0.196183D+02 -0.211962D+01 -0.680124D+02 -0.484869D+02
      5   0.362445D+01 -0.579883D+01 -0.145680D+02 -0.199773D+02 -0.756322D+01
      6  -0.971340D+01  0.181052D+01  0.234380D+01 -0.816042D+01 -0.554987D+01
                51            52            53            54            55 
      1  -0.205312D+01  0.185133D+01 -0.661295D+01 -0.274662D+01  0.347916D+02
      2   0.440539D+01 -0.467858D+01 -0.696418D+00 -0.397006D+01 -0.139616D+02
      3  -0.235227D+01  0.282725D+01  0.730937D+01  0.671668D+01 -0.208300D+02
      4  -0.178374D+01 -0.180251D+02 -0.499510D+01 -0.429361D+01  0.262495D+02
      5  -0.646494D+01  0.125405D+01 -0.499739D+01  0.112331D+01  0.724423D+01
      6  -0.648776D+01  0.803974D+00  0.346982D+01 -0.476541D+01  0.226771D+01
                56            57            58            59            60 
      1   0.132361D+02  0.212135D+01  0.708283D+02  0.361048D+01 -0.449609D+01
      2  -0.329750D+01 -0.243266D+00 -0.171922D+02  0.299528D+02  0.800190D+00
      3  -0.993865D+01 -0.187809D+01 -0.536361D+02 -0.335633D+02  0.369590D+01
      4   0.245973D+02  0.383152D+01  0.737485D+02  0.821681D+02  0.575583D+01
      5   0.509402D+01  0.124928D+02  0.101293D+02  0.119873D+02  0.175655D+02
      6   0.145185D+01  0.227360D+01  0.923207D+01  0.655217D+01  0.147210D+02
                61            62            63            64            65 
      1   0.177667D+02  0.298795D+01 -0.184057D+00 -0.263381D+02  0.233587D+02
      2  -0.645306D+01 -0.594149D+00 -0.829854D-01  0.105889D+02 -0.219970D+02
      3  -0.113136D+02 -0.239380D+01  0.267042D+00  0.157493D+02 -0.136173D+01
      4   0.147126D+02  0.935513D+01  0.197081D+02  0.193728D+02  0.986297D+01
      5   0.212128D+02  0.195701D+02  0.990061D+01 -0.157671D+02  0.158770D+02
      6   0.950571D+01  0.135230D+02  0.609210D+01  0.103162D+02 -0.131741D+02
                66            67            68            69            70 
      1  -0.119450D+02  0.159003D+02  0.292215D+02  0.183704D+02 -0.189563D+02
      2  -0.384071D+01 -0.134795D+02 -0.256529D+02 -0.124703D+02 -0.289113D+01
      3   0.157857D+02 -0.242076D+01 -0.356854D+01 -0.590001D+01  0.218474D+02
      4   0.201636D+02  0.104421D+02  0.510287D+01 -0.725382D+01  0.257110D+02
      5  -0.180863D+02  0.173992D+02 -0.538382D+01 -0.110060D+02 -0.241786D+02
      6   0.555329D+01 -0.105508D+02 -0.170967D+01  0.314018D+01  0.743633D+01
                71            72            73            74            75 
      1   0.209917D+02 -0.230567D+02  0.151147D+01 -0.139392D+02  0.208519D+02
      2  -0.121777D+02  0.231323D+02 -0.222474D+01  0.104835D+02 -0.120834D+02
      3  -0.881405D+01 -0.756104D-01  0.713274D+00  0.345568D+01 -0.876850D+01
      4  -0.107445D+02  0.378292D+00 -0.115116D+02  0.199411D+01  0.357320D+01
      5  -0.575118D+01  0.270223D+02  0.113253D+02 -0.211223D+01 -0.193463D+02
      6   0.328387D+01 -0.520595D+01  0.465654D+01 -0.606367D+01 -0.685633D+01
                76            77            78            79            80 
      1  -0.176183D+02  0.120371D+02 -0.482016D+01  0.228599D+02 -0.353148D+00
      2   0.172460D+02  0.243832D+01  0.417118D+01 -0.131195D+02  0.613758D+00
      3   0.372320D+00 -0.144754D+02  0.648985D+00 -0.974039D+01 -0.260610D+00
      4   0.102393D+02  0.361015D+02 -0.388863D+01 -0.123299D+01 -0.864544D+01
      5  -0.878096D+01  0.187529D+01 -0.119877D+02 -0.319341D+02 -0.157500D+02
      6  -0.309799D+01  0.915579D+00 -0.453020D+01 -0.131830D+02 -0.700637D+01
                81            82            83            84            85 
      1  -0.191581D+02 -0.170799D+02 -0.207568D+01 -0.139425D+02 -0.189955D+00
      2   0.126321D+02  0.149053D+02  0.716929D+01  0.130287D+02  0.365054D+01
      3   0.652593D+01  0.217456D+01 -0.509361D+01  0.913823D+00 -0.346059D+01
      4  -0.204051D+02 -0.124380D+01  0.976769D+01 -0.441098D+01  0.920696D+01
      5  -0.103026D+02 -0.673581D+01  0.202496D+01  0.148728D+01  0.517335D+01
      6  -0.865591D+01 -0.101937D+02  0.554438D+01  0.353924D+01  0.316691D+01
                86            87            88            89            90 
      1   0.959221D+01 -0.619233D+01 -0.163025D+02 -0.115677D+02  0.130966D+02
      2  -0.419774D+01  0.989930D+01  0.152818D+02  0.181174D+02 -0.148751D+02
      3  -0.539447D+01 -0.370697D+01  0.102064D+01 -0.654975D+01  0.177853D+01
      4  -0.127423D+01  0.119610D+02 -0.357805D+01  0.172060D+02 -0.881806D+00
      5   0.625023D+01 -0.241883D+01  0.310192D+01 -0.362311D+01  0.273066D+00
      6   0.168845D+02 -0.128254D+02  0.419917D+01 -0.174804D+02  0.218543D+01
                91            92            93            94            95 
      1  -0.272566D+02 -0.356890D+02 -0.374970D+00 -0.517095D+02 -0.143673D+02
      2   0.158364D+02  0.191837D+02  0.182950D+01  0.279538D+02  0.467922D+01
      3   0.114202D+02  0.165053D+02 -0.145453D+01  0.237557D+02  0.968807D+01
      4  -0.413150D+02  0.100876D+01  0.135363D+02 -0.177424D+02  0.270995D+02
      5  -0.564454D+01  0.147571D+02  0.125426D+02  0.160044D+02 -0.910158D+01
      6   0.605782D+01 -0.353533D+01 -0.532463D+01 -0.369285D+01  0.562916D+01
                96            97            98            99           100 
      1   0.139710D+02 -0.955128D+01  0.152797D+02  0.137855D+02  0.485913D+02
      2  -0.172414D+00  0.397159D+00  0.240553D+01 -0.421501D+01 -0.240962D+02
      3  -0.137986D+02  0.915412D+01 -0.176852D+02 -0.957052D+01 -0.244951D+02
      4  -0.958688D+01  0.167590D+02 -0.158291D+02  0.265207D+02  0.248976D+02
      5   0.212064D+02 -0.881266D+00  0.284402D+02  0.209288D+02 -0.214101D+02
      6  -0.599335D+01  0.211396D+01 -0.981927D+01 -0.831133D+01 -0.575785D+01
               101           102           103           104           105 
      1   0.101410D+02 -0.178775D+02  0.441957D+01  0.464364D+01 -0.332593D-01
      2  -0.274633D+01  0.955614D+01 -0.203654D+00 -0.838973D+00 -0.148354D+01
      3  -0.739467D+01  0.832140D+01 -0.421591D+01 -0.380467D+01  0.151680D+01
      4   0.145443D+02 -0.831672D+01  0.112753D+02  0.496422D+01 -0.530737D+01
      5  -0.409561D+01  0.175761D+02 -0.205429D+01 -0.531764D+01  0.362163D+01
      6  -0.195282D+01  0.551804D+01 -0.226805D+01 -0.262361D+01  0.385189D+01
               106           107           108           109           110 
      1  -0.292553D+02 -0.357860D+01  0.152212D+02  0.185607D+02  0.766015D+01
      2   0.159986D+02 -0.739982D+00 -0.109942D+02 -0.104069D+02 -0.344893D+01
      3   0.132567D+02  0.431858D+01 -0.422695D+01 -0.815378D+01 -0.421122D+01
      4  -0.150481D+02 -0.113308D+02  0.122047D+02  0.165055D+02  0.103442D+02
      5   0.235047D+02  0.779385D+01 -0.191095D+02  0.150892D+02  0.667228D+01
      6   0.747187D+01  0.499092D+01 -0.637470D+01  0.701241D+01  0.431210D+01
               111           112           113           114           115 
      1   0.682271D+01  0.618134D+01 -0.127399D+01  0.244876D+00  0.141766D+02
      2  -0.486033D+01 -0.185303D+01  0.383057D+01  0.139200D+01 -0.105032D+02
      3  -0.196238D+01 -0.432831D+01 -0.255658D+01 -0.163687D+01 -0.367347D+01
      4   0.838274D+01  0.128420D+02  0.102060D+02  0.109090D+02  0.189359D+02
      5   0.167079D+02  0.735815D+01  0.956663D+01  0.935562D+01  0.291497D+02
      6   0.634979D+01  0.607522D+01  0.750485D+01  0.884545D+01  0.134253D+02
               116           117           118           119           120 
      1   0.145750D+01  0.626262D+01 -0.122509D+01 -0.164314D+00  0.144014D+01
      2   0.113855D+01 -0.122344D+02 -0.572553D+01  0.965815D+00  0.462628D+01
      3  -0.259604D+01  0.597178D+01  0.695061D+01 -0.801501D+00 -0.606642D+01
      4   0.189226D+02  0.192250D+02 -0.194673D+01  0.369968D+01 -0.414602D+00
      5   0.152286D+02  0.354060D+02 -0.942024D+01  0.612175D+00  0.117684D+02
      6   0.124737D+02  0.184154D+02 -0.448888D+00 -0.130904D+01  0.215276D+00
               121           122           123           124           125 
      1   0.512066D+01 -0.398120D+01 -0.234702D+01  0.852699D+01  0.311974D+00
      2  -0.119006D+01 -0.351529D+00 -0.126650D+01  0.608805D+01 -0.295284D+01
      3  -0.393060D+01  0.433273D+01  0.361352D+01 -0.146150D+02  0.264086D+01
      4   0.535791D+01  0.660153D+00 -0.299691D+01 -0.439359D+00 -0.362348D+01
      5   0.177450D+01 -0.305080D+01 -0.171279D+01  0.176175D+02 -0.174571D+01
      6  -0.160534D+01  0.132283D+01  0.642487D+01  0.187042D+01  0.464411D+01
               126           127           128           129           130 
      1  -0.225844D+02 -0.368536D+01  0.763435D+01  0.556392D+01  0.482249D+01
      2  -0.182944D+02  0.325505D+01 -0.987951D+01 -0.488056D+01 -0.562998D+01
      3   0.408788D+02  0.430312D+00  0.224516D+01 -0.683363D+00  0.807496D+00
      4  -0.109251D+01 -0.522011D+01  0.105367D+01  0.309520D+01  0.249924D+01
      5  -0.234882D+02  0.219630D+00 -0.358717D+00 -0.526248D+00 -0.305456D+00
      6  -0.939894D+00  0.625427D+01 -0.398476D+01 -0.604546D+01 -0.263212D+01
               131           132           133           134           135 
      1  -0.115500D+02 -0.452956D+01  0.885728D+01 -0.897215D+01 -0.126392D+02
      2   0.134712D+02  0.453813D+01 -0.610478D+01  0.102090D+02  0.820992D+01
      3  -0.192124D+01 -0.856932D-02 -0.275250D+01 -0.123687D+01  0.442931D+01
      4  -0.845879D+00 -0.113723D+01  0.601394D+01 -0.323186D+00 -0.195739D+01
      5   0.458237D+00  0.118708D+01  0.223366D+00  0.184785D+01  0.330134D+01
      6   0.436892D+01  0.805179D+01 -0.506844D+01  0.106755D+02  0.126490D+02
               136           137           138           139           140 
      1  -0.146332D+01  0.387930D+01 -0.796032D+00  0.276178D+01 -0.307411D+02
      2   0.291039D+01 -0.255775D+01 -0.629273D-01 -0.511381D+00  0.408746D+02
      3  -0.144707D+01 -0.132154D+01  0.858959D+00 -0.225040D+01 -0.101335D+02
      4   0.420049D+01  0.694894D+01 -0.283276D+01  0.751020D+01  0.182850D+02
      5  -0.862911D+00 -0.261615D+01  0.309170D+01 -0.207174D+01 -0.822824D+01
      6  -0.327243D+01 -0.301498D+00 -0.745529D+00 -0.962305D+00 -0.256488D+02
               141           142           143           144           145 
      1   0.147918D+02 -0.420772D+00  0.210727D+02 -0.174983D+02 -0.706530D+01
      2  -0.161684D+02 -0.163105D+01 -0.226820D+02  0.124378D+02  0.624506D+01
      3   0.137656D+01  0.205182D+01  0.160931D+01  0.506049D+01  0.820240D+00
      4  -0.848592D+01 -0.441983D+01 -0.126708D+02  0.765174D+01  0.193949D+01
      5   0.554689D+01  0.288795D+01  0.844480D+01 -0.745840D+01 -0.328356D+01
      6   0.182945D+02  0.657595D-01  0.237745D+02 -0.205591D+02 -0.495725D+01
               146           147           148           149           150 
      1  -0.103587D+02  0.594212D+01 -0.827724D+01 -0.218916D+02  0.660764D+01
      2   0.116111D+02 -0.185800D+01  0.965207D+01  0.256478D+02 -0.173051D+01
      3  -0.125243D+01 -0.408413D+01 -0.137483D+01 -0.375621D+01 -0.487713D+01
      4  -0.591863D+00 -0.741253D+00  0.173035D+01 -0.800888D+01  0.245474D+01
      5  -0.412108D+01  0.236235D+01 -0.590457D+01 -0.261752D+01 -0.256543D+01
      6  -0.919855D+01  0.355862D+01 -0.617047D+01 -0.178664D+02  0.902157D+01
               151           152           153           154           155 
      1   0.170910D+01  0.495437D+00 -0.181248D+01 -0.666140D+01  0.301678D+01
      2  -0.215090D-02  0.198756D+01  0.106503D+01 -0.184209D+01  0.277520D+01
      3  -0.170695D+01 -0.248300D+01  0.747449D+00  0.850349D+01 -0.579198D+01
      4  -0.793141D+00 -0.564408D+00 -0.575310D+00  0.277010D+01 -0.302607D+01
      5   0.251756D+01 -0.564445D+00 -0.237125D+00 -0.247697D+01  0.887550D+00
      6   0.147028D+01  0.468661D+01 -0.152377D+01  0.255008D+01 -0.559502D+01
               156           157           158           159           160 
      1   0.965291D+01  0.469135D+01 -0.887641D+01 -0.990287D+01  0.586006D+01
      2   0.234127D+01  0.116383D+01  0.197150D+01 -0.415449D+01  0.135893D+01
      3  -0.119942D+02 -0.585518D+01  0.690491D+01  0.140574D+02 -0.721899D+01
      4  -0.307991D+01 -0.331276D+01  0.643634D+01  0.365836D+01 -0.308562D+01
      5   0.328381D+01  0.227581D+01 -0.965710D+00  0.351043D+01  0.513168D+01
      6  -0.285268D+01 -0.432435D+01  0.835869D+01  0.522561D+01 -0.307049D+01
               161           162           163           164           165 
      1  -0.602733D+01 -0.963933D+01  0.168464D+02 -0.137490D+01  0.335296D+01
      2  -0.216076D+01 -0.636608D+01 -0.180243D+02  0.288543D+01 -0.155253D+02
      3   0.818809D+01  0.160054D+02  0.117796D+01 -0.151054D+01  0.121723D+02
      4   0.277165D+01  0.353882D+01 -0.127899D+02  0.958142D+01 -0.969077D+01
      5  -0.223266D+00  0.177848D+01  0.327415D+02 -0.972990D+01  0.310509D+02
      6   0.559522D+01  0.434659D+01 -0.782832D+01  0.721094D+01 -0.959008D+01
               166           167           168           169           170 
      1  -0.883873D+00 -0.149161D+01  0.995225D+00  0.441898D+01  0.853988D+00
      2   0.158354D+01  0.160020D+00  0.384791D+00 -0.129442D+02  0.167882D+01
      3  -0.699667D+00  0.133159D+01 -0.138002D+01  0.852521D+01 -0.253281D+01
      4   0.673020D+01 -0.535805D+01  0.658267D+01 -0.781897D+01  0.607984D+01
      5  -0.546426D+01  0.672090D+01 -0.522666D+01  0.248977D+02 -0.783946D+01
      6   0.462602D+01 -0.547899D+01  0.740127D+01 -0.721636D+01  0.718308D+01
               171           172           173           174           175 
      1  -0.215314D+01  0.167215D+02 -0.153629D+01 -0.970446D+01  0.600762D+01
      2  -0.168605D+02 -0.122767D+02  0.600674D+00  0.105638D+02 -0.420329D+01
      3   0.190137D+02 -0.444479D+01  0.935616D+00 -0.859299D+00 -0.180432D+01
      4  -0.815198D+01 -0.491979D+01  0.302082D+01  0.710383D+00  0.751697D+00
      5   0.292281D+02 -0.144298D+02 -0.155115D+01  0.192379D+02 -0.694275D+01
      6  -0.100159D+02  0.255933D+01 -0.204883D+00 -0.506257D+01  0.310650D+00
               176           177           178           179           180 
      1  -0.172102D+01 -0.480520D+01 -0.145465D+02 -0.252934D+01  0.974813D+01
      2  -0.120105D+00  0.735581D+01  0.148586D+02  0.504684D+01 -0.240406D+02
      3   0.184112D+01 -0.255061D+01 -0.312138D+00 -0.251750D+01  0.142925D+02
      4   0.418629D+01 -0.463180D+01  0.412057D+01 -0.890697D+01 -0.339648D+01
      5  -0.500594D+01  0.971775D+01  0.269275D+02  0.205626D+00 -0.458553D+02
      6  -0.462334D+00  0.155648D+01 -0.728348D+01  0.495505D+01  0.140690D+02
               181           182           183           184           185 
      1  -0.730561D+01 -0.180403D+02 -0.185650D+01 -0.133710D+02 -0.324178D+02
      2   0.728361D+01  0.199303D+02  0.217690D+01  0.940351D+01  0.445834D+02
      3   0.219919D-01 -0.189006D+01 -0.320392D+00  0.396751D+01 -0.121656D+02
      4   0.549275D+00 -0.784014D+01 -0.348419D+01  0.526352D+01 -0.303389D+02
      5   0.288707D+01 -0.208188D+01 -0.107110D+01  0.762079D+00 -0.343685D+01
      6   0.792427D+00  0.579896D+01  0.418392D+01  0.201932D+01  0.122140D+02
               186           187           188           189           190 
      1  -0.673142D+01  0.456643D+00 -0.665509D+01 -0.330973D+01  0.633344D+02
      2   0.601483D+01  0.109995D+01  0.489789D+01  0.247035D+01 -0.265030D+02
      3   0.716595D+00 -0.155659D+01  0.175720D+01  0.839374D+00 -0.368315D+02
      4  -0.439185D+01 -0.223544D+01 -0.212772D+01 -0.361930D+01 -0.374150D+02
      5  -0.484237D+01  0.310939D+01 -0.376459D+01 -0.449175D+01  0.152905D+02
      6   0.855458D+01  0.632120D+00  0.782955D+01  0.412599D+01 -0.684270D+01
               191           192           193           194           195 
      1  -0.180909D+02  0.154198D+02 -0.107825D+02  0.507084D+01 -0.396288D+01
      2   0.391278D+01 -0.549417D+01  0.621280D+00  0.377963D+01  0.396282D+00
      3   0.141781D+02 -0.992559D+01  0.101612D+02 -0.885047D+01  0.356660D+01
      4   0.211454D+02 -0.987198D+01  0.174852D+02 -0.145250D+02  0.635728D+01
      5  -0.557438D+01  0.157802D+02 -0.461137D+01  0.467014D+01 -0.206365D+01
      6   0.356467D+01 -0.672246D+01  0.337207D+01 -0.164062D+01  0.293032D+01
               196           197           198           199           200 
      1   0.294543D+02 -0.890133D+01  0.131151D+02  0.574407D+00 -0.182854D+00
      2  -0.110511D+02  0.667432D+00 -0.817070D+01 -0.119529D+01  0.465918D+00
      3  -0.184031D+02  0.823390D+01 -0.494444D+01  0.620886D+00 -0.283064D+00
      4  -0.213179D+02  0.157247D+02 -0.890473D+01  0.576512D+00  0.263935D+01
      5   0.183532D+02 -0.585287D+01  0.132270D+02  0.462583D+00  0.149105D+01
      6  -0.780789D+01  0.404727D+01 -0.660453D+01  0.268352D+01  0.564830D+00
               201           202           203           204           205 
      1   0.870970D+00  0.480725D+01 -0.171242D+02 -0.771178D+01  0.187881D+01
      2  -0.577154D+00 -0.302240D+01  0.160090D+02  0.317216D+01 -0.338134D+01
      3  -0.293815D+00 -0.178484D+01  0.111522D+01  0.453961D+01  0.150253D+01
      4   0.109351D+01  0.219230D+01  0.496928D+01  0.186247D+01  0.185144D+01
      5   0.154966D+01  0.122216D+01  0.263238D+01  0.225687D+01  0.196807D+01
      6   0.760703D+00 -0.647613D+00  0.113197D+02  0.734164D+01  0.199155D+01
               206           207           208           209           210 
      1  -0.515983D+01 -0.244434D+01  0.100548D+01 -0.406216D+01 -0.154231D+01
      2   0.231084D+01  0.129269D+01  0.127807D+01  0.247136D+01  0.660384D+00
      3   0.284899D+01  0.115166D+01 -0.228354D+01  0.159080D+01  0.881929D+00
      4   0.668603D+00  0.113323D+01 -0.342528D+01  0.340639D+01  0.129011D+01
      5   0.194866D+01  0.101364D+01 -0.207974D+01  0.959340D+00  0.593035D+00
      6   0.525343D+01  0.413274D+01  0.731997D+00 -0.960458D+00 -0.449176D-01
               211           212           213           214           215 
      1  -0.384858D+01 -0.143087D+02 -0.197661D+01 -0.292313D+01 -0.215716D+01
      2   0.670747D+00  0.209322D+02  0.252834D+01 -0.290108D+00  0.353058D+01
      3   0.317784D+01 -0.662351D+01 -0.551734D+00  0.321323D+01 -0.137343D+01
      4   0.632558D+01 -0.174985D+02 -0.331005D+01  0.375179D+01 -0.456049D+01
      5   0.183384D+01 -0.253340D+01 -0.273581D+01 -0.209037D+01 -0.153115D+01
      6  -0.114530D+01  0.126337D+01  0.412761D+01  0.191708D+01  0.252562D+01
               216           217           218           219           220 
      1  -0.301288D+01  0.156818D+02 -0.614915D+01  0.615763D+01 -0.198848D+02
      2   0.248172D+01 -0.522989D+01  0.124155D+01 -0.244689D+01  0.465132D+01
      3   0.531160D+00 -0.104519D+02  0.490760D+01 -0.371074D+01  0.152335D+02
      4  -0.211209D+01 -0.745062D+01  0.985890D+01 -0.638552D+01  0.296002D+02
      5  -0.967020D+00  0.707983D+01 -0.570758D+01  0.394757D+01 -0.535897D+01
      6   0.156272D+01 -0.303125D+01  0.102294D+01 -0.495876D+00  0.285339D+01
               221           222           223           224           225 
      1   0.856814D+01 -0.366385D+00  0.187649D+02 -0.618308D+01  0.104174D+01
      2   0.103187D+02 -0.474861D+01 -0.703059D+01 -0.341107D+01  0.655871D-01
      3  -0.188868D+02  0.511500D+01 -0.117343D+02  0.959415D+01 -0.110733D+01
      4  -0.508888D+02  0.146939D+02 -0.170064D+02  0.255385D+02 -0.184574D+02
      5   0.159474D+02 -0.187941D+02  0.118875D+02 -0.196857D+02  0.165516D+02
      6  -0.711252D+01  0.747742D+01 -0.425907D+01  0.903911D+01 -0.667118D+01
               226           227           228           229           230 
      1   0.599224D+00 -0.540141D+00 -0.867039D+01 -0.686114D+01 -0.935262D+00
      2  -0.141033D+01  0.658167D-01  0.234765D+01  0.311051D+01  0.147806D+01
      3   0.811101D+00  0.474324D+00  0.632274D+01  0.375063D+01 -0.542794D+00
      4   0.335920D+01 -0.179347D+01 -0.220164D+01  0.115789D+02 -0.192570D+02
      5  -0.246884D+01 -0.284182D+01 -0.268013D+01  0.324594D+01 -0.118852D+02
      6   0.191939D+01  0.224684D+01  0.221802D+01 -0.158635D+01  0.726604D+01
               231           232           233           234           235 
      1  -0.547106D+01 -0.186106D+02 -0.564680D+01 -0.121035D+02  0.978333D+02
      2   0.123901D+01  0.122963D+02 -0.209264D+00 -0.903213D+01 -0.523708D+02
      3   0.423206D+01  0.631421D+01  0.585606D+01  0.211357D+02 -0.454625D+02
      4  -0.120174D+02  0.708178D+01 -0.151948D+02 -0.199676D+02  0.159340D+02
      5  -0.172905D+02  0.156578D+02 -0.215236D+02 -0.502597D+02 -0.120421D+02
      6   0.102559D+02 -0.366438D+01  0.118661D+02  0.167771D+02 -0.267314D+01
               236           237           238           239           240 
      1   0.199691D+02 -0.692234D+01  0.445376D+02  0.165645D+02 -0.461827D+01
      2  -0.116424D+02  0.517412D+01 -0.240357D+02 -0.761379D+01  0.272086D+01
      3  -0.832665D+01  0.174822D+01 -0.205018D+02 -0.895071D+01  0.189741D+01
      4   0.154853D+02 -0.262791D+01  0.191039D+02  0.143178D+02 -0.966564D+00
      5  -0.369863D+01  0.139334D+02 -0.728774D+01 -0.160512D+01  0.686034D+01
      6  -0.149087D+01 -0.208431D-01 -0.234339D+01 -0.241259D+01  0.195148D+01
               241           242           243 
      1  -0.269491D+01 -0.220399D+01  0.874757D+01
      2   0.288454D+01  0.744015D+00 -0.624367D+01
      3  -0.189624D+00  0.145997D+01 -0.250390D+01
      4  -0.207669D+01  0.764207D+00  0.114887D+01
      5   0.137177D+02  0.159179D+01 -0.532741D+01
      6   0.459312D+00  0.239315D+01  0.416549D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:38:58 2021, MaxMem=  5368709120 cpu:           22938.6 elap:            2869.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.24509 -10.38700 -10.31889 -10.31695 -10.31040
 Alpha  occ. eigenvalues --  -10.30059 -10.30032 -10.29955 -10.29668 -10.28928
 Alpha  occ. eigenvalues --  -10.28829  -1.12748  -0.96813  -0.89022  -0.84528
 Alpha  occ. eigenvalues --   -0.83618  -0.78416  -0.77239  -0.71003  -0.68395
 Alpha  occ. eigenvalues --   -0.62422  -0.60643  -0.58231  -0.56425  -0.55530
 Alpha  occ. eigenvalues --   -0.53633  -0.53030  -0.51865  -0.50801  -0.49788
 Alpha  occ. eigenvalues --   -0.47797  -0.47778  -0.47145  -0.45670  -0.44910
 Alpha  occ. eigenvalues --   -0.44142  -0.41920  -0.40576  -0.39608  -0.38134
 Alpha  occ. eigenvalues --   -0.34212  -0.33422
 Alpha virt. eigenvalues --    0.01220   0.08033   0.08983   0.10456   0.10753
 Alpha virt. eigenvalues --    0.11997   0.12479   0.12846   0.13501   0.14812
 Alpha virt. eigenvalues --    0.15260   0.15546   0.16296   0.17101   0.18039
 Alpha virt. eigenvalues --    0.18209   0.18889   0.19228   0.19580   0.20466
 Alpha virt. eigenvalues --    0.20820   0.21029   0.22207   0.22624   0.22759
 Alpha virt. eigenvalues --    0.23067   0.23747   0.24460   0.25808   0.26019
 Alpha virt. eigenvalues --    0.26859   0.27165   0.27710   0.28659   0.29057
 Alpha virt. eigenvalues --    0.29480   0.29943   0.30803   0.31844   0.32271
 Alpha virt. eigenvalues --    0.33081   0.33661   0.34298   0.34723   0.35817
 Alpha virt. eigenvalues --    0.36406   0.36590   0.37269   0.38053   0.38705
 Alpha virt. eigenvalues --    0.38872   0.39434   0.39963   0.40032   0.40490
 Alpha virt. eigenvalues --    0.40995   0.41224   0.41449   0.41875   0.42046
 Alpha virt. eigenvalues --    0.42328   0.42920   0.43095   0.43448   0.43689
 Alpha virt. eigenvalues --    0.44567   0.44785   0.45223   0.45657   0.45920
 Alpha virt. eigenvalues --    0.46461   0.46971   0.47460   0.47830   0.48288
 Alpha virt. eigenvalues --    0.48862   0.49236   0.49496   0.50422   0.50762
 Alpha virt. eigenvalues --    0.50992   0.51818   0.52340   0.53209   0.53392
 Alpha virt. eigenvalues --    0.54212   0.54606   0.54933   0.55481   0.55716
 Alpha virt. eigenvalues --    0.56224   0.56647   0.56947   0.57141   0.57306
 Alpha virt. eigenvalues --    0.58503   0.58790   0.59018   0.59416   0.59868
 Alpha virt. eigenvalues --    0.60585   0.60940   0.61563   0.61756   0.62770
 Alpha virt. eigenvalues --    0.63476   0.63517   0.64283   0.64412   0.64863
 Alpha virt. eigenvalues --    0.66016   0.66457   0.67109   0.68039   0.68420
 Alpha virt. eigenvalues --    0.68960   0.69589   0.69900   0.70324   0.71511
 Alpha virt. eigenvalues --    0.72019   0.72883   0.73422   0.73557   0.75097
 Alpha virt. eigenvalues --    0.75775   0.76134   0.76619   0.77039   0.78240
 Alpha virt. eigenvalues --    0.79356   0.80419   0.81782   0.82554   0.83121
 Alpha virt. eigenvalues --    0.83819   0.83957   0.85121   0.86346   0.87041
 Alpha virt. eigenvalues --    0.88511   0.89095   0.90171   0.91582   0.95518
 Alpha virt. eigenvalues --    0.97959   0.98105   0.99507   1.00785   1.02025
 Alpha virt. eigenvalues --    1.03284   1.03778   1.05065   1.06388   1.06404
 Alpha virt. eigenvalues --    1.07044   1.07759   1.08178   1.09418   1.10248
 Alpha virt. eigenvalues --    1.10574   1.11915   1.12470   1.12974   1.13709
 Alpha virt. eigenvalues --    1.14387   1.15182   1.16939   1.18052   1.18325
 Alpha virt. eigenvalues --    1.21297   1.23712   1.24767   1.26077   1.26913
 Alpha virt. eigenvalues --    1.27899   1.29399   1.30594   1.32192   1.33925
 Alpha virt. eigenvalues --    1.34200   1.35450   1.37472   1.39903   1.40396
 Alpha virt. eigenvalues --    1.41537   1.44602   1.45225   1.45280   1.45521
 Alpha virt. eigenvalues --    1.46344   1.48115   1.50298   1.51018   1.52317
 Alpha virt. eigenvalues --    1.54267   1.58011   1.59649   1.61723   1.63220
 Alpha virt. eigenvalues --    1.64637   1.65958   1.67493   1.69268   1.70093
 Alpha virt. eigenvalues --    1.71382   1.72130   1.74413   1.75200   1.76752
 Alpha virt. eigenvalues --    1.76971   1.79189   1.81169   1.82246   1.83876
 Alpha virt. eigenvalues --    1.86082   1.86987   1.87168   1.88972   1.90761
 Alpha virt. eigenvalues --    1.92751   1.93433   1.94177   1.95727   1.96923
 Alpha virt. eigenvalues --    1.98162   1.99573   2.00686   2.02373   2.04117
 Alpha virt. eigenvalues --    2.05391   2.06667   2.07830   2.08453   2.10110
 Alpha virt. eigenvalues --    2.11902   2.13105   2.14079   2.14344   2.15623
 Alpha virt. eigenvalues --    2.16068   2.18541   2.20652   2.22444   2.22887
 Alpha virt. eigenvalues --    2.24946   2.26425   2.27050   2.27769   2.29749
 Alpha virt. eigenvalues --    2.31354   2.32414   2.34306   2.34994   2.35522
 Alpha virt. eigenvalues --    2.37898   2.38240   2.40133   2.41708   2.42993
 Alpha virt. eigenvalues --    2.45996   2.48564   2.49980   2.51614   2.52423
 Alpha virt. eigenvalues --    2.53903   2.56441   2.58592   2.61079   2.61718
 Alpha virt. eigenvalues --    2.62787   2.64887   2.66299   2.67522   2.70569
 Alpha virt. eigenvalues --    2.72168   2.73172   2.74788   2.77804   2.79146
 Alpha virt. eigenvalues --    2.81443   2.82174   2.87474   2.91951   2.93092
 Alpha virt. eigenvalues --    2.96193   2.98497   3.01020   3.01734   3.05747
 Alpha virt. eigenvalues --    3.07737   3.11270   3.11674   3.12128   3.14193
 Alpha virt. eigenvalues --    3.17326   3.20520   3.22706   3.23151   3.24447
 Alpha virt. eigenvalues --    3.27552   3.28358   3.29669   3.30053   3.31288
 Alpha virt. eigenvalues --    3.37097   3.38585   3.63122   3.92021
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.023056  -0.542020   0.052693  -0.103893  -0.015501   0.005606
     2  C   -0.542020  11.433415  -0.485163  -0.014899   0.093012   0.002646
     3  C    0.052693  -0.485163   6.491989  -0.518401  -0.090233   0.058409
     4  C   -0.103893  -0.014899  -0.518401   6.921202  -0.089941   0.018873
     5  C   -0.015501   0.093012  -0.090233  -0.089941   7.930555  -0.407722
     6  C    0.005606   0.002646   0.058409   0.018873  -0.407722   5.646983
     7  O    0.002970  -0.006831   0.027770  -0.072781  -0.119682   0.338190
     8  C   -0.204532  -0.680671  -0.057535   0.001210  -0.005857   0.000026
     9  C    0.044186  -0.341581  -0.007117  -0.013340  -0.011460  -0.000065
    10  C   -0.057338   0.053793  -0.056593  -0.003853  -0.024767   0.000797
    11  C    0.000176  -0.000808   0.000264   0.046865  -0.079256   0.503987
    12  H    0.070083  -0.078656   0.103256  -0.010082   0.002032  -0.000016
    13  H   -0.107838   0.000692   0.012764  -0.006333   0.000435  -0.000019
    14  H    0.063141  -0.044427   0.046807  -0.103844   0.041202   0.001807
    15  H    0.016475   0.063965   0.084707  -0.098323   0.034856  -0.000301
    16  H   -0.013688  -0.033025   0.052439   0.009921   0.001261   0.001768
    17  H   -0.049975   0.162826  -0.022209   0.047049   0.001034  -0.001361
    18  H    0.260691   0.230262  -0.069446  -0.020080  -0.014575  -0.003914
    19  H   -0.010936   0.217416   0.015979  -0.001536   0.000681   0.000328
    20  H    0.001920  -0.052630  -0.043225   0.002842  -0.001655   0.000058
    21  H    0.014081   0.208617   0.036402  -0.004883  -0.001020   0.000305
    22  H    0.030136   0.215332   0.014673   0.000582  -0.000165   0.000010
    23  H    0.028566  -0.031283   0.030266  -0.041402  -0.588208   0.000792
    24  H    0.001250  -0.007101  -0.068430  -0.117531   0.168868  -0.378725
    25  H   -0.000016  -0.000167   0.001421  -0.003679  -0.015691   0.076673
    26  H    0.000171  -0.000282   0.002101  -0.003681   0.002905   0.057342
    27  H   -0.000029   0.000034  -0.000464  -0.002216   0.045350   0.124863
               7          8          9         10         11         12
     1  C    0.002970  -0.204532   0.044186  -0.057338   0.000176   0.070083
     2  C   -0.006831  -0.680671  -0.341581   0.053793  -0.000808  -0.078656
     3  C    0.027770  -0.057535  -0.007117  -0.056593   0.000264   0.103256
     4  C   -0.072781   0.001210  -0.013340  -0.003853   0.046865  -0.010082
     5  C   -0.119682  -0.005857  -0.011460  -0.024767  -0.079256   0.002032
     6  C    0.338190   0.000026  -0.000065   0.000797   0.503987  -0.000016
     7  O    8.209484  -0.000244   0.000363  -0.000471  -0.037283   0.000050
     8  C   -0.000244   5.519065  -0.108624   0.034972   0.000015  -0.077675
     9  C    0.000363  -0.108624   4.894843   0.182953   0.000011   0.214585
    10  C   -0.000471   0.034972   0.182953   4.994759  -0.000506  -0.140768
    11  C   -0.037283   0.000015   0.000011  -0.000506   4.308750   0.000005
    12  H    0.000050  -0.077675   0.214585  -0.140768   0.000005   1.252346
    13  H    0.000019   0.089373   0.099051   0.131394  -0.000004  -0.400372
    14  H    0.000382  -0.086591   0.136322  -0.223293   0.000088   0.050201
    15  H   -0.000321  -0.007692   0.008447   0.013123   0.000046   0.099138
    16  H   -0.000208  -0.003408  -0.040831   0.370502  -0.000348  -0.166820
    17  H   -0.001361   0.000104   0.006979   0.001765  -0.000055  -0.001132
    18  H   -0.000009   0.000516  -0.031691   0.010287   0.000102   0.002185
    19  H    0.000015   0.023664   0.005876  -0.005551  -0.000014  -0.005597
    20  H   -0.000028   0.478516  -0.021956   0.016252   0.000000  -0.005022
    21  H    0.000227  -0.025620   0.004246  -0.007225  -0.000004   0.000447
    22  H    0.000006  -0.027102   0.028588  -0.007116  -0.000000  -0.003354
    23  H    0.051493  -0.015765   0.001749   0.014970   0.005417   0.000701
    24  H    0.033830  -0.001561  -0.000895   0.010493  -0.058401   0.001308
    25  H    0.001272   0.000002   0.000010  -0.000157   0.269534   0.000000
    26  H    0.003865   0.000002   0.000012  -0.000410   0.266531   0.000000
    27  H   -0.005741  -0.000001  -0.000001   0.000034   0.287157  -0.000000
              13         14         15         16         17         18
     1  C   -0.107838   0.063141   0.016475  -0.013688  -0.049975   0.260691
     2  C    0.000692  -0.044427   0.063965  -0.033025   0.162826   0.230262
     3  C    0.012764   0.046807   0.084707   0.052439  -0.022209  -0.069446
     4  C   -0.006333  -0.103844  -0.098323   0.009921   0.047049  -0.020080
     5  C    0.000435   0.041202   0.034856   0.001261   0.001034  -0.014575
     6  C   -0.000019   0.001807  -0.000301   0.001768  -0.001361  -0.003914
     7  O    0.000019   0.000382  -0.000321  -0.000208  -0.001361  -0.000009
     8  C    0.089373  -0.086591  -0.007692  -0.003408   0.000104   0.000516
     9  C    0.099051   0.136322   0.008447  -0.040831   0.006979  -0.031691
    10  C    0.131394  -0.223293   0.013123   0.370502   0.001765   0.010287
    11  C   -0.000004   0.000088   0.000046  -0.000348  -0.000055   0.000102
    12  H   -0.400372   0.050201   0.099138  -0.166820  -0.001132   0.002185
    13  H    1.563972  -0.025091  -0.181221   0.097003  -0.000988  -0.016330
    14  H   -0.025091   1.363323   0.078649  -0.127906  -0.007049   0.001383
    15  H   -0.181221   0.078649   1.165828  -0.313751  -0.004148   0.015516
    16  H    0.097003  -0.127906  -0.313751   1.657816   0.001077  -0.004429
    17  H   -0.000988  -0.007049  -0.004148   0.001077   0.741793  -0.003925
    18  H   -0.016330   0.001383   0.015516  -0.004429  -0.003925   0.771715
    19  H    0.022956  -0.002465   0.005092   0.001991  -0.122501  -0.102602
    20  H    0.003425  -0.014144  -0.000002   0.001309   0.000003  -0.001596
    21  H   -0.000117   0.001345  -0.000261   0.000322   0.021173  -0.002227
    22  H   -0.003134   0.004269  -0.000209   0.000137  -0.013500  -0.003439
    23  H   -0.000205  -0.094836  -0.006383  -0.002571   0.002334   0.010937
    24  H   -0.002091  -0.002172   0.029201  -0.023102   0.002406   0.003350
    25  H   -0.000000  -0.000027   0.000022  -0.000064  -0.000001   0.000033
    26  H    0.000000   0.000046   0.000005  -0.000061  -0.000027   0.000065
    27  H   -0.000000  -0.000002   0.000010   0.000001   0.000011   0.000015
              19         20         21         22         23         24
     1  C   -0.010936   0.001920   0.014081   0.030136   0.028566   0.001250
     2  C    0.217416  -0.052630   0.208617   0.215332  -0.031283  -0.007101
     3  C    0.015979  -0.043225   0.036402   0.014673   0.030266  -0.068430
     4  C   -0.001536   0.002842  -0.004883   0.000582  -0.041402  -0.117531
     5  C    0.000681  -0.001655  -0.001020  -0.000165  -0.588208   0.168868
     6  C    0.000328   0.000058   0.000305   0.000010   0.000792  -0.378725
     7  O    0.000015  -0.000028   0.000227   0.000006   0.051493   0.033830
     8  C    0.023664   0.478516  -0.025620  -0.027102  -0.015765  -0.001561
     9  C    0.005876  -0.021956   0.004246   0.028588   0.001749  -0.000895
    10  C   -0.005551   0.016252  -0.007225  -0.007116   0.014970   0.010493
    11  C   -0.000014   0.000000  -0.000004  -0.000000   0.005417  -0.058401
    12  H   -0.005597  -0.005022   0.000447  -0.003354   0.000701   0.001308
    13  H    0.022956   0.003425  -0.000117  -0.003134  -0.000205  -0.002091
    14  H   -0.002465  -0.014144   0.001345   0.004269  -0.094836  -0.002172
    15  H    0.005092  -0.000002  -0.000261  -0.000209  -0.006383   0.029201
    16  H    0.001991   0.001309   0.000322   0.000137  -0.002571  -0.023102
    17  H   -0.122501   0.000003   0.021173  -0.013500   0.002334   0.002406
    18  H   -0.102602  -0.001596  -0.002227  -0.003439   0.010937   0.003350
    19  H    0.871035   0.002668  -0.015824   0.015945  -0.000064  -0.000329
    20  H    0.002668   0.735426  -0.065106  -0.060451  -0.002459  -0.000148
    21  H   -0.015824  -0.065106   0.672274  -0.003042  -0.010656  -0.000069
    22  H    0.015945  -0.060451  -0.003042   0.697617   0.001088  -0.000018
    23  H   -0.000064  -0.002459  -0.010656   0.001088   1.409765   0.079996
    24  H   -0.000329  -0.000148  -0.000069  -0.000018   0.079996   1.280706
    25  H    0.000001   0.000000   0.000000   0.000000   0.000503  -0.021133
    26  H    0.000000   0.000000  -0.000000   0.000000   0.000376  -0.020839
    27  H   -0.000000   0.000000  -0.000000   0.000000  -0.000539   0.009678
              25         26         27
     1  C   -0.000016   0.000171  -0.000029
     2  C   -0.000167  -0.000282   0.000034
     3  C    0.001421   0.002101  -0.000464
     4  C   -0.003679  -0.003681  -0.002216
     5  C   -0.015691   0.002905   0.045350
     6  C    0.076673   0.057342   0.124863
     7  O    0.001272   0.003865  -0.005741
     8  C    0.000002   0.000002  -0.000001
     9  C    0.000010   0.000012  -0.000001
    10  C   -0.000157  -0.000410   0.000034
    11  C    0.269534   0.266531   0.287157
    12  H    0.000000   0.000000  -0.000000
    13  H   -0.000000   0.000000  -0.000000
    14  H   -0.000027   0.000046  -0.000002
    15  H    0.000022   0.000005   0.000010
    16  H   -0.000064  -0.000061   0.000001
    17  H   -0.000001  -0.000027   0.000011
    18  H    0.000033   0.000065   0.000015
    19  H    0.000001   0.000000  -0.000000
    20  H    0.000000   0.000000   0.000000
    21  H    0.000000  -0.000000  -0.000000
    22  H    0.000000   0.000000   0.000000
    23  H    0.000503   0.000376  -0.000539
    24  H   -0.021133  -0.020839   0.009678
    25  H    0.517817   0.039502   0.002135
    26  H    0.039502   0.506111   0.002706
    27  H    0.002135   0.002706   0.599574
 Mulliken charges:
               1
     1  C    1.490562
     2  C   -4.362463
     3  C    0.386876
     4  C    0.182156
     5  C   -0.856457
     6  C   -0.047339
     7  O   -0.424976
     8  C    1.155415
     9  C    0.949341
    10  C    0.691954
    11  C    0.487732
    12  H    0.093159
    13  H   -0.277341
    14  H   -0.057121
    15  H   -0.002471
    16  H   -0.465333
    17  H    0.239679
    18  H   -0.032793
    19  H    0.083771
    20  H    0.026005
    21  H    0.176616
    22  H    0.113150
    23  H    0.155419
    24  H    0.081462
    25  H    0.132010
    26  H    0.143559
    27  H   -0.062575
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.781220
     2  C   -4.362463
     3  C    0.329755
     4  C    0.337575
     5  C   -0.774995
     6  C   -0.047339
     7  O   -0.424976
     8  C    1.471186
     9  C    0.765160
    10  C    0.224150
    11  C    0.700727
 Electronic spatial extent (au):  <R**2>=           2456.5809
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.9065    Y=              2.6065    Z=              0.4891  Tot=              3.2662
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -70.3833   YY=            -71.8747   ZZ=            -68.2353
   XY=             -9.3165   XZ=             -3.1102   YZ=             -0.3792
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.2189   YY=             -1.7102   ZZ=              1.9291
   XY=             -9.3165   XZ=             -3.1102   YZ=             -0.3792
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -6.5847  YYY=              2.3304  ZZZ=             -1.0851  XYY=              7.4067
  XXY=             27.9191  XXZ=              8.5736  XZZ=             -0.8912  YZZ=              0.2546
  YYZ=              0.6823  XYZ=              1.2374
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2475.2989 YYYY=           -538.7062 ZZZZ=           -299.7615 XXXY=            -80.4313
 XXXZ=            -22.8177 YYYX=            -11.9012 YYYZ=             -1.8298 ZZZX=             -4.5741
 ZZZY=              4.1702 XXYY=           -550.7231 XXZZ=           -458.6236 YYZZ=           -137.1255
 XXYZ=            -15.1955 YYXZ=             -3.1018 ZZXY=              4.0643
 N-N= 6.110292542079D+02 E-N=-2.300070530448D+03  KE= 4.599794664420D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:38:58 2021, MaxMem=  5368709120 cpu:               3.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.53203215D-01 9.76112432D-01 1.78417530D-01
 Polarizability= 1.57753060D+02-3.27875141D+00 1.14652483D+02
                -5.16231534D+00 2.28516577D+00 9.73254217D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.7356    2.7359       -1.5523   -1.5549
 2     -2.7356   -2.7359       -1.0925   -1.0928      -23.5377  -23.5246
 3      1.5523    1.5549       31.9563   31.9452        1.0920    1.0928
 4      1.0925    1.0928       -0.0000    0.0000        1.5528    1.5549
 5     -8.4186   -8.4206       -1.5528   -1.5549        2.7358    2.7359
 6     -1.0920   -1.0928       -2.7358   -2.7359       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -8.2076   -8.2076       -4.6646   -4.6646
 2      3.2785    3.2785        0.0000    0.0000       -4.6646   -4.6646
 3      3.2785    3.2785       -8.2076   -8.2076       -0.0000    0.0000
 4     -8.2076   -8.2076       -3.2785   -3.2785      -70.5739  -70.5739
 5      4.6646    4.6646       95.8355   95.8355        3.2785    3.2785
 6    -25.2617  -25.2617       -4.6646   -4.6646        8.2076    8.2076
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1766    0.0000       -9.2930  -10.9434        5.5466    6.2194
 2     10.9535   10.9434        4.8012    4.3714       93.5521   94.0985
 3     -6.1459   -6.2194     -127.7461 -127.7807       -4.7979   -4.3714
 4     -4.3574   -4.3714        0.0216    0.0000       -6.2648   -6.2194
 5     33.6469   33.6822        6.2535    6.2194      -10.8851  -10.9434
 6      4.3817    4.3714       10.9479   10.9434       -0.0355    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0550    0.0000       15.9573   16.1200      -39.6789  -39.8610
 2    -15.3013  -16.1200       18.7509   17.3437       22.0640   21.1170
 3     39.3225   39.8610       25.2625   23.4670      -18.9083  -17.3437
 4    -16.9102  -17.3437        0.4269    0.0000       39.6082   39.8610
 5    -44.3727  -44.5840      -39.4636  -39.8610       15.6145   16.1200
 6     17.3327   17.3437      -15.9588  -16.1200       -0.0109    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -34.8101  -35.0689        8.3406    8.3304       31.2472   31.2786
 2    -52.4766  -52.7393        8.1110    7.7903       30.9563   31.2786
 3    -52.3785  -52.7393        8.7213    8.3304       51.3512   51.7475
 4      0.7895    0.5401       18.3137   17.6704       35.5325   35.4612
 5     20.1107   20.4689       45.2274   44.5223      -18.6621  -17.6704
 6    -79.3863  -79.9835      -20.8066  -20.4689       -0.0128   -0.5401
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.4119   -2.6292   -0.0003   -0.0001    0.0004    2.7054
 Low frequencies ---   34.3208   71.7474   83.5721
 Diagonal vibrational polarizability:
       22.6689464       8.5513366      79.6013259
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.3092                71.7449                83.5719
 Red. masses --      3.4219                 4.0592                 2.9550
 Frc consts  --      0.0024                 0.0123                 0.0122
 IR Inten    --      3.6320                 1.0936                 0.7133
 RamAct Fr= 1--      1.0937                 0.8577                 0.1682
  Dep-P Fr= 1--      0.7487                 0.6702                 0.5859
  Dep-U Fr= 1--      0.8563                 0.8025                 0.7389
 Alpha2 Fr= 1--      0.0000                 0.0012                 0.0005
 Beta2  Fr= 1--      0.1561                 0.1147                 0.0207
 AlphaG Fr= 1--     -0.0001                -0.0138                 0.0012
 Gamma2 Fr= 1--      0.7554                 0.0435                -0.2076
 Delta2 Fr= 1--      0.4259                 0.2215                -0.1104
 Raman1 Fr= 1--       4.375                  3.431                  0.673
 ROA1   Fr= 1--      86.142                 11.263                -23.462
 CID1   Fr= 1--      19.691                  3.283                -34.865
 Raman2 Fr= 1--       1.873                  1.377                  0.249
 ROA2   Fr= 1--      14.722                 -0.729                 -4.099
 CID2   Fr= 1--       7.860                 -0.529                -16.486
 Raman3 Fr= 1--       3.746                  2.753                  0.497
 ROA3   Fr= 1--      86.142                 11.263                -23.462
 CID3   Fr= 1--      22.996                  4.091                -47.184
 RC180  Fr= 1--       0.713                  0.605                  0.478
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.10   0.03     0.25   0.04   0.08    -0.04  -0.12  -0.04
     2   6    -0.03   0.01   0.03     0.08   0.01   0.01     0.01  -0.00   0.01
     3   6     0.02  -0.01  -0.05    -0.03  -0.08   0.10     0.01  -0.08  -0.05
     4   6     0.01   0.01  -0.08    -0.02  -0.11   0.15     0.01  -0.09  -0.05
     5   6     0.03  -0.01  -0.00    -0.03  -0.06   0.05     0.02  -0.04  -0.09
     6   6     0.02  -0.01  -0.01    -0.08   0.02  -0.06     0.00   0.03   0.01
     7   8    -0.02   0.04  -0.22    -0.17   0.07  -0.19    -0.09   0.03   0.05
     8   6    -0.03  -0.04   0.12     0.08   0.03  -0.03     0.17   0.12   0.02
     9   6    -0.00   0.00  -0.03     0.01   0.04  -0.11    -0.11   0.05   0.10
    10   6     0.02   0.00  -0.10    -0.07  -0.05   0.03    -0.09  -0.04  -0.07
    11   6     0.09  -0.08   0.27    -0.03   0.06  -0.01     0.09   0.11   0.07
    12   1     0.02  -0.05  -0.01    -0.08   0.05  -0.20    -0.01   0.12   0.22
    13   1    -0.02   0.04  -0.03     0.11   0.10  -0.16    -0.28   0.06   0.16
    14   1     0.06  -0.06  -0.03    -0.10  -0.08   0.08     0.03  -0.10  -0.04
    15   1     0.00   0.05  -0.13     0.00  -0.08   0.09    -0.19  -0.03  -0.15
    16   1     0.06  -0.03  -0.13    -0.20  -0.06   0.02    -0.04  -0.08  -0.10
    17   1    -0.11   0.11   0.06     0.29   0.00   0.18     0.06  -0.18  -0.13
    18   1    -0.09   0.14  -0.03     0.25   0.02   0.11    -0.16  -0.20  -0.06
    19   1    -0.12   0.12   0.08     0.32   0.11   0.01    -0.07  -0.05   0.01
    20   1     0.02  -0.11   0.12    -0.04   0.01  -0.08     0.21   0.21   0.06
    21   1    -0.04  -0.04   0.16     0.13  -0.01   0.08     0.29   0.06  -0.06
    22   1    -0.06  -0.03   0.17     0.17   0.12  -0.11     0.16   0.20   0.07
    23   1    -0.02   0.03  -0.16    -0.02  -0.12   0.19     0.01  -0.11   0.02
    24   1     0.05  -0.04   0.10    -0.01  -0.05   0.02     0.06  -0.03  -0.16
    25   1     0.05   0.06   0.46     0.09   0.17   0.10     0.09   0.10   0.05
    26   1     0.19  -0.30   0.34    -0.06  -0.10   0.07     0.20   0.14   0.03
    27   1     0.08  -0.08   0.24    -0.09   0.14  -0.15     0.06   0.17   0.17
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.1245               135.9243               160.5915
 Red. masses --      1.1129                 2.3787                 2.6932
 Frc consts  --      0.0087                 0.0259                 0.0409
 IR Inten    --      0.0082                 0.1649                 1.1201
 RamAct Fr= 1--      0.3996                 1.0232                 0.4891
  Dep-P Fr= 1--      0.7497                 0.7135                 0.6202
  Dep-U Fr= 1--      0.8570                 0.8328                 0.7656
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0012
 Beta2  Fr= 1--      0.0571                 0.1420                 0.0624
 AlphaG Fr= 1--      0.0001                 0.0062                -0.0017
 Gamma2 Fr= 1--      0.1189                -0.0835                 0.6693
 Delta2 Fr= 1--      0.0174                 0.1055                 0.0383
 Raman1 Fr= 1--       1.598                  4.093                  1.956
 ROA1   Fr= 1--      11.969                 -4.638                 65.477
 CID1   Fr= 1--       7.488                 -1.133                 33.468
 Raman2 Fr= 1--       0.685                  1.704                  0.749
 ROA2   Fr= 1--       2.714                 -2.848                 15.757
 CID2   Fr= 1--       3.962                 -1.671                 21.041
 Raman3 Fr= 1--       1.370                  3.408                  1.498
 ROA3   Fr= 1--      11.969                 -4.638                 65.477
 CID3   Fr= 1--       8.738                 -1.361                 43.717
 RC180  Fr= 1--       0.714                  0.666                  0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.01    -0.04   0.02  -0.02    -0.01   0.09   0.00
     2   6     0.01  -0.00   0.01    -0.01   0.01  -0.01     0.00   0.02  -0.02
     3   6    -0.00   0.00   0.02     0.00   0.00  -0.04     0.01   0.04  -0.00
     4   6    -0.00   0.00   0.02     0.00  -0.01  -0.07     0.04  -0.06  -0.13
     5   6    -0.02   0.02  -0.05     0.08  -0.11   0.27     0.03  -0.09  -0.12
     6   6    -0.01   0.00  -0.01     0.02  -0.03   0.07     0.02  -0.04  -0.03
     7   8    -0.01   0.01  -0.04    -0.04   0.01  -0.05    -0.07  -0.04   0.06
     8   6    -0.01  -0.01  -0.00     0.02   0.01   0.02    -0.06  -0.05   0.01
     9   6     0.01  -0.00  -0.00    -0.02   0.01  -0.02     0.01   0.02  -0.04
    10   6     0.00  -0.00   0.02    -0.02  -0.00  -0.02    -0.09   0.00   0.21
    11   6    -0.00  -0.02   0.04     0.02   0.06  -0.08     0.12   0.08   0.01
    12   1    -0.00  -0.00  -0.02    -0.02   0.02  -0.02    -0.15   0.06  -0.20
    13   1     0.03  -0.01  -0.01    -0.02   0.02  -0.02     0.19  -0.02  -0.10
    14   1    -0.01   0.01   0.02     0.03   0.02  -0.03     0.10   0.21   0.00
    15   1     0.01  -0.01   0.03    -0.02  -0.02  -0.01    -0.02  -0.24   0.35
    16   1    -0.01   0.00   0.02    -0.03   0.01  -0.01    -0.25   0.16   0.37
    17   1     0.02   0.00   0.02    -0.05   0.03  -0.03    -0.05   0.12   0.04
    18   1     0.03   0.00   0.02    -0.05   0.03  -0.04     0.03   0.14  -0.02
    19   1     0.03   0.00   0.00    -0.06   0.03  -0.00    -0.01   0.08  -0.00
    20   1    -0.02  -0.01  -0.01     0.03  -0.00   0.02    -0.05  -0.10   0.00
    21   1    -0.01  -0.00   0.00     0.03  -0.00   0.03    -0.12  -0.02   0.05
    22   1    -0.00  -0.01  -0.01     0.01   0.04   0.04    -0.07  -0.08   0.02
    23   1     0.01  -0.02   0.08    -0.06   0.08  -0.40     0.10  -0.06  -0.18
    24   1    -0.03   0.03  -0.10     0.16  -0.20   0.57     0.06  -0.10  -0.10
    25   1    -0.37  -0.33  -0.29    -0.02  -0.14  -0.32     0.19   0.10   0.04
    26   1     0.24   0.45  -0.22     0.03   0.34  -0.20     0.21   0.03   0.01
    27   1     0.12  -0.16   0.55     0.03   0.05   0.08     0.06   0.18   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.6012               242.2567               253.6054
 Red. masses --      1.4369                 1.6578                 2.8640
 Frc consts  --      0.0390                 0.0573                 0.1085
 IR Inten    --      0.6236                 2.1284                 0.5178
 RamAct Fr= 1--      0.6285                 0.9186                 3.6904
  Dep-P Fr= 1--      0.6696                 0.3421                 0.2115
  Dep-U Fr= 1--      0.8021                 0.5098                 0.3491
 Alpha2 Fr= 1--      0.0009                 0.0083                 0.0486
 Beta2  Fr= 1--      0.0840                 0.0781                 0.2147
 AlphaG Fr= 1--      0.0070                -0.0085                 0.0155
 Gamma2 Fr= 1--     -0.0465                -0.0108                -0.1067
 Delta2 Fr= 1--     -0.0322                 0.1194                 0.0434
 Raman1 Fr= 1--       2.514                  3.674                 14.762
 ROA1   Fr= 1--      -5.492                  2.785                 -8.852
 CID1   Fr= 1--      -2.185                  0.758                 -0.600
 Raman2 Fr= 1--       1.008                  0.937                  2.577
 ROA2   Fr= 1--      -0.858                 -1.214                 -2.907
 CID2   Fr= 1--      -0.851                 -1.296                 -1.128
 Raman3 Fr= 1--       2.016                  1.873                  5.153
 ROA3   Fr= 1--      -5.492                  2.785                 -8.852
 CID3   Fr= 1--      -2.723                  1.487                 -1.718
 RC180  Fr= 1--       0.604                  0.020                 -0.302
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.03     0.01  -0.00  -0.01     0.03  -0.02   0.06
     2   6     0.00  -0.03  -0.02    -0.00  -0.02  -0.02    -0.06   0.00   0.03
     3   6    -0.01  -0.00  -0.02    -0.02  -0.04  -0.02    -0.04  -0.06   0.01
     4   6    -0.03   0.04  -0.04    -0.03   0.01  -0.01     0.01  -0.06   0.03
     5   6    -0.02   0.05  -0.00     0.02   0.07   0.02     0.08   0.04   0.02
     6   6    -0.01   0.03   0.00     0.03   0.06   0.01     0.11   0.04  -0.00
     7   8     0.03   0.02   0.01     0.11   0.05  -0.01     0.18   0.04  -0.05
     8   6     0.11   0.00   0.07     0.04  -0.03   0.04    -0.14  -0.00  -0.06
     9   6     0.01  -0.03  -0.05    -0.04  -0.00  -0.06    -0.13   0.04   0.02
    10   6    -0.02  -0.03   0.05    -0.09  -0.06   0.05    -0.15  -0.03  -0.03
    11   6    -0.05  -0.02   0.01    -0.03  -0.02   0.00     0.11   0.02  -0.02
    12   1    -0.06  -0.04  -0.11    -0.12   0.01  -0.14    -0.11   0.08   0.06
    13   1     0.10  -0.05  -0.08     0.04   0.02  -0.10    -0.19   0.07   0.04
    14   1    -0.01   0.04  -0.02    -0.02  -0.01  -0.02    -0.01  -0.09   0.03
    15   1     0.02  -0.11   0.11    -0.07  -0.18   0.11    -0.19  -0.05  -0.06
    16   1    -0.07   0.03   0.11    -0.20   0.01   0.12    -0.17  -0.06  -0.05
    17   1    -0.11   0.04  -0.06     0.34  -0.21   0.06    -0.15   0.09   0.07
    18   1     0.04   0.03  -0.01    -0.30  -0.16  -0.17     0.23   0.06   0.21
    19   1    -0.05  -0.12  -0.04     0.01   0.38   0.10     0.08  -0.23  -0.07
    20   1    -0.21  -0.19  -0.12     0.31   0.06   0.17    -0.45  -0.10  -0.21
    21   1     0.34  -0.21   0.49    -0.03   0.05  -0.22    -0.13  -0.05   0.21
    22   1     0.33   0.45  -0.07    -0.14  -0.20   0.21     0.06   0.12  -0.29
    23   1    -0.07   0.05  -0.08    -0.11   0.02  -0.02    -0.05  -0.06   0.09
    24   1    -0.00   0.04   0.04     0.06   0.06   0.03     0.12   0.04  -0.03
    25   1    -0.09  -0.02   0.02    -0.08  -0.02   0.01     0.12   0.02  -0.03
    26   1    -0.08  -0.03   0.02    -0.08  -0.02   0.01     0.10   0.03  -0.02
    27   1    -0.02  -0.07  -0.01     0.01  -0.09  -0.03     0.10   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    269.0459               282.2763               353.5180
 Red. masses --      1.5683                 1.5923                 2.2972
 Frc consts  --      0.0669                 0.0748                 0.1692
 IR Inten    --      0.3930                 0.2981                 0.3762
 RamAct Fr= 1--      1.1184                 1.2578                 1.2555
  Dep-P Fr= 1--      0.1106                 0.2194                 0.4470
  Dep-U Fr= 1--      0.1991                 0.3598                 0.6178
 Alpha2 Fr= 1--      0.0191                 0.0162                 0.0078
 Beta2  Fr= 1--      0.0371                 0.0754                 0.1293
 AlphaG Fr= 1--      0.0493                 0.0624                -0.0187
 Gamma2 Fr= 1--      0.6924                -0.7265                -0.3641
 Delta2 Fr= 1--      0.2241                -0.2895                -0.1011
 Raman1 Fr= 1--       4.474                  5.031                  5.022
 ROA1   Fr= 1--      73.638                -79.005                -38.183
 CID1   Fr= 1--      16.461                -15.703                 -7.603
 Raman2 Fr= 1--       0.445                  0.905                  1.551
 ROA2   Fr= 1--      14.823                -15.119                 -7.929
 CID2   Fr= 1--      33.286                -16.704                 -5.111
 Raman3 Fr= 1--       0.891                  1.810                  3.103
 ROA3   Fr= 1--      73.638                -79.005                -38.183
 CID3   Fr= 1--      82.679                -43.642                -12.307
 RC180  Fr= 1--      -0.602                 -0.280                  0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.08    -0.11   0.02  -0.06    -0.04   0.20   0.02
     2   6    -0.02  -0.01   0.03    -0.01   0.01  -0.03     0.02  -0.06  -0.03
     3   6     0.00   0.02  -0.01    -0.00   0.02   0.02     0.02  -0.07  -0.02
     4   6    -0.02   0.05  -0.13     0.04  -0.04   0.14    -0.00  -0.05  -0.01
     5   6    -0.01  -0.00  -0.03     0.01  -0.03   0.03     0.02  -0.00  -0.01
     6   6    -0.01  -0.01  -0.01     0.02  -0.03   0.01    -0.00   0.04   0.01
     7   8    -0.02  -0.01   0.03    -0.00  -0.01  -0.03     0.00   0.04   0.01
     8   6    -0.06  -0.00  -0.02    -0.03  -0.00  -0.03     0.05   0.02  -0.14
     9   6    -0.01  -0.01   0.06     0.02  -0.00  -0.01    -0.00  -0.07   0.11
    10   6     0.03   0.01  -0.03     0.02   0.03   0.02     0.01  -0.09   0.04
    11   6    -0.00  -0.00   0.00     0.05   0.02  -0.01    -0.06  -0.02   0.01
    12   1     0.05  -0.02   0.12     0.01  -0.01  -0.02     0.09   0.05   0.23
    13   1    -0.09  -0.03   0.09     0.04  -0.03  -0.01    -0.14  -0.17   0.20
    14   1     0.08  -0.01   0.02    -0.08   0.04  -0.00     0.00  -0.04  -0.03
    15   1     0.00   0.07  -0.07     0.04   0.05   0.02    -0.04  -0.10   0.01
    16   1     0.09  -0.02  -0.06     0.03   0.02   0.01     0.06  -0.07   0.06
    17   1     0.46  -0.25   0.21     0.20  -0.18  -0.07    -0.16   0.26   0.25
    18   1    -0.18  -0.19  -0.03    -0.46  -0.14  -0.29     0.04   0.40  -0.19
    19   1     0.18   0.40   0.10    -0.19   0.38   0.13    -0.09   0.30   0.10
    20   1    -0.28  -0.08  -0.13    -0.23  -0.10  -0.14    -0.05   0.17  -0.13
    21   1    -0.01  -0.06   0.19     0.03  -0.07   0.20     0.11  -0.00  -0.22
    22   1     0.09   0.13  -0.18     0.11   0.16  -0.15     0.12   0.02  -0.24
    23   1    -0.04   0.08  -0.27     0.11  -0.09   0.30    -0.04  -0.04  -0.01
    24   1     0.00  -0.04   0.10    -0.03   0.01  -0.12     0.07  -0.00  -0.01
    25   1    -0.01   0.01   0.01     0.11   0.01  -0.03    -0.12  -0.02   0.02
    26   1     0.01  -0.01   0.00     0.07   0.03  -0.02    -0.12  -0.03   0.02
    27   1    -0.01   0.00   0.02     0.02   0.07  -0.01    -0.01  -0.11  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    371.8471               402.6948               480.4199
 Red. masses --      2.2530                 2.4838                 2.4451
 Frc consts  --      0.1835                 0.2373                 0.3325
 IR Inten    --      0.2754                 1.2801                 2.0083
 RamAct Fr= 1--      0.3805                 0.4380                 1.2328
  Dep-P Fr= 1--      0.6886                 0.2654                 0.2992
  Dep-U Fr= 1--      0.8156                 0.4195                 0.4606
 Alpha2 Fr= 1--      0.0004                 0.0050                 0.0127
 Beta2  Fr= 1--      0.0517                 0.0306                 0.0946
 AlphaG Fr= 1--     -0.0046                 0.0043                 0.0512
 Gamma2 Fr= 1--      0.1145                 0.2803                 0.3669
 Delta2 Fr= 1--     -0.0011                 0.1874                 0.0760
 Raman1 Fr= 1--       1.522                  1.752                  4.931
 ROA1   Fr= 1--      10.952                 32.909                 37.652
 CID1   Fr= 1--       7.197                 18.784                  7.635
 Raman2 Fr= 1--       0.621                  0.367                  1.136
 ROA2   Fr= 1--       2.756                  5.229                  8.197
 CID2   Fr= 1--       4.441                 14.229                  7.219
 Raman3 Fr= 1--       1.241                  0.735                  2.271
 ROA3   Fr= 1--      10.952                 32.909                 37.652
 CID3   Fr= 1--       8.824                 44.774                 16.578
 RC180  Fr= 1--       0.631                 -0.161                 -0.079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.02   0.12     0.07   0.06  -0.02    -0.03   0.02  -0.04
     2   6    -0.07  -0.03   0.11    -0.07  -0.06  -0.10     0.17   0.02   0.05
     3   6    -0.04  -0.02   0.07    -0.09   0.04  -0.04     0.04  -0.09   0.09
     4   6    -0.04   0.02  -0.03    -0.08   0.10   0.05    -0.07   0.09  -0.00
     5   6    -0.03   0.01  -0.01    -0.10   0.05   0.04    -0.08   0.07   0.02
     6   6     0.01  -0.03  -0.03    -0.01  -0.09  -0.01    -0.06  -0.03  -0.08
     7   8     0.04  -0.04  -0.00     0.05  -0.09  -0.04     0.03  -0.07   0.02
     8   6     0.02   0.16  -0.07     0.07  -0.04   0.03     0.03  -0.07  -0.05
     9   6     0.04  -0.08  -0.11    -0.06  -0.09   0.05     0.05   0.12   0.01
    10   6     0.05  -0.02  -0.01    -0.00   0.01   0.01    -0.03  -0.08  -0.01
    11   6     0.07   0.03  -0.01     0.13   0.06  -0.01     0.04   0.03   0.00
    12   1    -0.09  -0.31  -0.28     0.02  -0.00   0.14     0.06   0.22   0.05
    13   1     0.27   0.03  -0.24    -0.14  -0.23   0.13    -0.05   0.21   0.02
    14   1     0.03  -0.08   0.10    -0.17   0.07  -0.07     0.00  -0.14   0.08
    15   1     0.14   0.02   0.05    -0.03   0.06  -0.03    -0.04  -0.08  -0.02
    16   1     0.00  -0.04  -0.03     0.11   0.01   0.02    -0.15  -0.13  -0.07
    17   1    -0.09  -0.02   0.11     0.03   0.07   0.20    -0.08   0.06  -0.23
    18   1    -0.10  -0.01   0.09     0.18   0.14  -0.00    -0.13   0.03  -0.18
    19   1    -0.11  -0.02   0.16     0.18   0.13  -0.14    -0.23  -0.05   0.19
    20   1    -0.04   0.46   0.01     0.23  -0.04   0.09    -0.09  -0.13  -0.11
    21   1     0.16   0.10  -0.29     0.18  -0.09  -0.03    -0.15   0.03   0.03
    22   1     0.07   0.16  -0.14    -0.03   0.07   0.21     0.09  -0.23  -0.19
    23   1    -0.07   0.04  -0.10    -0.09   0.08   0.11    -0.23   0.17  -0.21
    24   1    -0.03  -0.01   0.07    -0.21   0.07   0.01    -0.14   0.02   0.25
    25   1     0.12   0.03  -0.01     0.32   0.06  -0.06     0.08   0.08   0.05
    26   1     0.15   0.02  -0.02     0.29   0.07  -0.06     0.25  -0.03  -0.02
    27   1     0.02   0.11   0.04    -0.02   0.31   0.07    -0.04   0.17   0.14
                     16                     17                     18
                      A                      A                      A
 Frequencies --    540.9824               580.2655               595.7584
 Red. masses --      2.6804                 3.3528                 2.5709
 Frc consts  --      0.4622                 0.6651                 0.5376
 IR Inten    --      5.1408                20.7460                 0.4153
 RamAct Fr= 1--      0.5260                 0.3037                 8.4617
  Dep-P Fr= 1--      0.2468                 0.7443                 0.0772
  Dep-U Fr= 1--      0.3959                 0.8534                 0.1433
 Alpha2 Fr= 1--      0.0063                 0.0000                 0.1566
 Beta2  Fr= 1--      0.0347                 0.0432                 0.2021
 AlphaG Fr= 1--      0.0135                 0.0021                 0.0920
 Gamma2 Fr= 1--      0.1618                 0.8304                 0.0179
 Delta2 Fr= 1--      0.2106                -0.0443                -0.4299
 Raman1 Fr= 1--       2.104                  1.215                 33.847
 ROA1   Fr= 1--      22.276                 78.302                -12.044
 CID1   Fr= 1--      10.587                 64.457                 -0.356
 Raman2 Fr= 1--       0.417                  0.518                  2.425
 ROA2   Fr= 1--       2.200                 20.285                  3.868
 CID2   Fr= 1--       5.282                 39.134                  1.595
 Raman3 Fr= 1--       0.833                  1.037                  4.850
 ROA3   Fr= 1--      22.276                 78.302                -12.044
 CID3   Fr= 1--      26.742                 75.530                 -2.483
 RC180  Fr= 1--      -0.208                  0.707                 -0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.07     0.02   0.01  -0.05    -0.03  -0.02   0.06
     2   6     0.01  -0.01   0.05     0.02   0.09   0.01     0.06  -0.08   0.03
     3   6     0.10  -0.01  -0.15    -0.01  -0.06  -0.06    -0.02   0.06   0.10
     4   6     0.06   0.17   0.02    -0.09  -0.09  -0.06    -0.01   0.00  -0.07
     5   6     0.01   0.10   0.01    -0.08  -0.06  -0.05    -0.02  -0.02  -0.08
     6   6     0.05  -0.08   0.13    -0.07  -0.05   0.18     0.02  -0.04   0.18
     7   8    -0.13  -0.02  -0.04     0.15  -0.02  -0.10     0.03   0.02  -0.06
     8   6    -0.01   0.01  -0.02    -0.07   0.10   0.05     0.11  -0.13  -0.07
     9   6    -0.02   0.02  -0.00     0.12   0.02   0.03    -0.07   0.03  -0.02
    10   6    -0.03  -0.09  -0.03     0.09  -0.08   0.01    -0.05   0.12   0.01
    11   6     0.04  -0.05  -0.02    -0.11   0.12   0.07    -0.03   0.02   0.03
    12   1    -0.05  -0.02  -0.04     0.20   0.01   0.11    -0.14   0.06  -0.10
    13   1     0.00   0.11  -0.04     0.00   0.02   0.08     0.03   0.05  -0.07
    14   1     0.15  -0.14  -0.12     0.02  -0.10  -0.05     0.05   0.16   0.11
    15   1    -0.13  -0.47   0.05     0.12  -0.25   0.11    -0.05   0.41  -0.11
    16   1    -0.17   0.14   0.21    -0.02   0.05   0.15     0.09  -0.08  -0.20
    17   1    -0.01  -0.02   0.08     0.07  -0.01  -0.17    -0.10   0.02   0.09
    18   1    -0.00  -0.02   0.08    -0.02  -0.07   0.03    -0.03   0.07  -0.08
    19   1    -0.00  -0.02   0.05     0.03  -0.04  -0.07    -0.12  -0.01   0.19
    20   1    -0.10   0.06  -0.03    -0.08   0.04   0.03     0.08  -0.09  -0.07
    21   1    -0.04   0.03  -0.03    -0.15   0.14   0.10     0.11  -0.13  -0.10
    22   1     0.04  -0.04  -0.11    -0.07   0.06   0.04     0.13  -0.17  -0.11
    23   1     0.04   0.10   0.30    -0.06  -0.12   0.05     0.09  -0.02  -0.02
    24   1    -0.22   0.17  -0.20    -0.02  -0.02  -0.20    -0.00  -0.00  -0.14
    25   1     0.22  -0.15  -0.18     0.24  -0.00  -0.16     0.23  -0.12  -0.20
    26   1    -0.18   0.09  -0.03    -0.24   0.30   0.02    -0.32   0.23   0.01
    27   1     0.01  -0.02  -0.18    -0.26   0.36  -0.05    -0.08   0.10  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    637.7184               742.6419               784.4966
 Red. masses --      3.1989                 2.4958                 1.6854
 Frc consts  --      0.7665                 0.8110                 0.6111
 IR Inten    --      4.8846                 0.4617                 0.9506
 RamAct Fr= 1--     13.6113                 6.1041                 1.0294
  Dep-P Fr= 1--      0.1303                 0.0657                 0.2400
  Dep-U Fr= 1--      0.2305                 0.1233                 0.3871
 Alpha2 Fr= 1--      0.2211                 0.1161                 0.0125
 Beta2  Fr= 1--      0.5230                 0.1254                 0.0664
 AlphaG Fr= 1--     -0.2054                 0.0124                 0.0192
 Gamma2 Fr= 1--     -2.9016                 0.8052                 0.2284
 Delta2 Fr= 1--      1.1844                -0.3128                -0.3430
 Raman1 Fr= 1--      54.445                 24.416                  4.117
 ROA1   Fr= 1--    -240.655                 67.290                 10.949
 CID1   Fr= 1--      -4.420                  2.756                  2.659
 Raman2 Fr= 1--       6.276                  1.505                  0.797
 ROA2   Fr= 1--     -79.114                 21.827                  8.225
 CID2   Fr= 1--     -12.606                 14.504                 10.322
 Raman3 Fr= 1--      12.552                  3.010                  1.594
 ROA3   Fr= 1--    -240.655                 67.290                 10.949
 CID3   Fr= 1--     -19.172                 22.357                  6.870
 RC180  Fr= 1--      -0.539                 -0.753                 -0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.11    -0.05  -0.04   0.14     0.02   0.01  -0.00
     2   6     0.00   0.05  -0.02     0.00   0.00  -0.00     0.08   0.04   0.05
     3   6    -0.10  -0.08   0.14    -0.12   0.05  -0.10    -0.03  -0.02  -0.13
     4   6    -0.12  -0.04  -0.04    -0.12  -0.09  -0.01    -0.09  -0.06  -0.02
     5   6    -0.01   0.10  -0.07    -0.04  -0.03   0.04    -0.02   0.00   0.05
     6   6     0.13   0.00   0.10     0.02   0.04  -0.01    -0.01   0.02  -0.01
     7   8    -0.12   0.06   0.01     0.00   0.05   0.01    -0.00   0.02   0.01
     8   6    -0.05   0.07   0.04     0.07  -0.08  -0.05     0.03   0.01   0.01
     9   6     0.06  -0.02   0.01     0.08   0.11  -0.03    -0.05  -0.03   0.07
    10   6     0.02  -0.04   0.03     0.08   0.06  -0.03     0.03   0.04   0.05
    11   6     0.16  -0.14  -0.05     0.07  -0.05  -0.04     0.03  -0.03  -0.03
    12   1     0.13   0.04   0.09     0.32   0.13   0.22    -0.36  -0.07  -0.26
    13   1    -0.03  -0.09   0.07    -0.25   0.17   0.09     0.40  -0.01  -0.11
    14   1    -0.12  -0.02   0.13    -0.16   0.03  -0.11    -0.02  -0.03  -0.12
    15   1     0.14   0.19   0.02     0.26  -0.21   0.22    -0.21   0.17  -0.17
    16   1     0.02  -0.20  -0.13    -0.16   0.30   0.22     0.45   0.03   0.04
    17   1     0.05   0.03  -0.21    -0.05  -0.04   0.14     0.02   0.02  -0.09
    18   1    -0.01  -0.01  -0.09    -0.06  -0.06   0.15    -0.01  -0.00  -0.02
    19   1     0.00  -0.00  -0.08    -0.06  -0.06   0.15    -0.03  -0.03   0.06
    20   1     0.01   0.00   0.04     0.07  -0.08  -0.05    -0.09  -0.03  -0.04
    21   1    -0.07   0.07   0.08     0.09  -0.09  -0.06    -0.18   0.13   0.06
    22   1    -0.09   0.09   0.11     0.07  -0.08  -0.06     0.07  -0.19  -0.13
    23   1    -0.28   0.01  -0.13    -0.11  -0.12   0.09    -0.17  -0.09   0.14
    24   1     0.06   0.06   0.05     0.02   0.01  -0.12    -0.04   0.06  -0.16
    25   1     0.25  -0.25  -0.22    -0.01  -0.02   0.01     0.00   0.01   0.02
    26   1    -0.17   0.02  -0.04     0.10  -0.09  -0.03     0.11  -0.07  -0.02
    27   1     0.23  -0.26  -0.29     0.12  -0.13  -0.02     0.04  -0.04   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    863.6196               875.4091               896.4219
 Red. masses --      1.9722                 1.7921                 2.5208
 Frc consts  --      0.8666                 0.8092                 1.1935
 IR Inten    --      4.0762                 4.1598                 6.6631
 RamAct Fr= 1--     22.2901                17.8124                10.0911
  Dep-P Fr= 1--      0.6042                 0.6534                 0.6181
  Dep-U Fr= 1--      0.7533                 0.7903                 0.7640
 Alpha2 Fr= 1--      0.0600                 0.0308                 0.0244
 Beta2  Fr= 1--      2.7984                 2.3463                 1.2850
 AlphaG Fr= 1--      0.2218                -0.2313                 0.1383
 Gamma2 Fr= 1--     -0.1105                 2.2785                 4.5150
 Delta2 Fr= 1--     -1.3412                -1.3738                 1.0848
 Raman1 Fr= 1--      89.160                 71.250                 40.364
 ROA1   Fr= 1--     -53.525                174.773                468.152
 CID1   Fr= 1--      -0.600                  2.453                 11.598
 Raman2 Fr= 1--      33.581                 28.156                 15.420
 ROA2   Fr= 1--       8.078                 65.674                 99.681
 CID2   Fr= 1--       0.241                  2.332                  6.465
 Raman3 Fr= 1--      67.162                 56.312                 30.839
 ROA3   Fr= 1--     -53.525                174.773                468.152
 CID3   Fr= 1--      -0.797                  3.104                 15.180
 RC180  Fr= 1--       0.507                  0.581                  0.528
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02   0.03     0.02   0.01   0.00     0.02   0.01  -0.00
     2   6    -0.10  -0.01  -0.07     0.06   0.03   0.03     0.02   0.01   0.01
     3   6     0.06  -0.08  -0.04    -0.03   0.04  -0.04     0.04  -0.08   0.00
     4   6     0.00  -0.05   0.08     0.04  -0.00   0.12    -0.02  -0.09  -0.01
     5   6     0.01   0.07  -0.08    -0.07  -0.03  -0.13     0.15   0.18  -0.00
     6   6    -0.01  -0.01  -0.00     0.01   0.02   0.00    -0.02  -0.06  -0.01
     7   8    -0.01  -0.02   0.00     0.02   0.03   0.01    -0.04  -0.08  -0.01
     8   6    -0.01  -0.04  -0.04     0.03   0.02   0.01     0.02   0.01   0.01
     9   6     0.04   0.14   0.06    -0.07  -0.09  -0.00    -0.08  -0.06  -0.06
    10   6     0.06   0.01   0.04     0.01   0.03  -0.05     0.02   0.17   0.00
    11   6    -0.01  -0.01   0.02     0.03  -0.00   0.03    -0.07  -0.02   0.02
    12   1    -0.18   0.14  -0.18    -0.03  -0.18   0.03     0.11  -0.10   0.14
    13   1     0.31   0.19  -0.06    -0.08  -0.06  -0.01    -0.26  -0.16   0.04
    14   1    -0.10  -0.06  -0.09    -0.20  -0.13  -0.07     0.15  -0.06   0.03
    15   1    -0.13   0.04  -0.10     0.00  -0.21   0.04     0.22   0.04   0.20
    16   1     0.20  -0.01   0.02    -0.01   0.24   0.17    -0.05   0.32   0.16
    17   1     0.01  -0.09   0.27    -0.00   0.03  -0.08     0.00   0.03  -0.09
    18   1     0.05  -0.02   0.17    -0.01   0.00  -0.03    -0.03  -0.01  -0.02
    19   1     0.14   0.10  -0.20    -0.05  -0.03   0.08    -0.04  -0.04   0.06
    20   1     0.09  -0.03   0.00    -0.05  -0.05  -0.04    -0.05  -0.00  -0.02
    21   1     0.15  -0.14  -0.06    -0.15   0.12   0.06    -0.08   0.06   0.01
    22   1    -0.05   0.14   0.08     0.06  -0.16  -0.09     0.04  -0.09  -0.06
    23   1    -0.20   0.04  -0.19     0.08   0.10  -0.31    -0.34  -0.06   0.06
    24   1     0.15  -0.07   0.43     0.05  -0.23   0.59     0.34   0.15   0.09
    25   1     0.12  -0.06  -0.07     0.07  -0.08  -0.09     0.14  -0.00  -0.01
    26   1    -0.06   0.08  -0.00    -0.17   0.10   0.03     0.11   0.03  -0.04
    27   1    -0.07   0.08  -0.03     0.06  -0.07  -0.12    -0.23   0.26   0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --    917.3950               948.3523               960.4213
 Red. masses --      2.1238                 2.2606                 1.6649
 Frc consts  --      1.0531                 1.1979                 0.9048
 IR Inten    --      0.2418                12.4031                12.7633
 RamAct Fr= 1--      6.9237                 2.5653                 7.4443
  Dep-P Fr= 1--      0.3885                 0.5833                 0.2839
  Dep-U Fr= 1--      0.5596                 0.7368                 0.4422
 Alpha2 Fr= 1--      0.0534                 0.0080                 0.0801
 Beta2  Fr= 1--      0.6458                 0.3150                 0.5486
 AlphaG Fr= 1--      0.0024                 0.0379                 0.0683
 Gamma2 Fr= 1--      0.9433                 3.6501                 0.5812
 Delta2 Fr= 1--     -0.0882                 1.2626                 0.3860
 Raman1 Fr= 1--      27.695                 10.261                 29.777
 ROA1   Fr= 1--      87.736                390.810                 68.142
 CID1   Fr= 1--       3.168                 38.087                  2.288
 Raman2 Fr= 1--       7.749                  3.780                  6.584
 ROA2   Fr= 1--      23.346                 77.502                 10.860
 CID2   Fr= 1--       3.013                 20.502                  1.650
 Raman3 Fr= 1--      15.498                  7.560                 13.167
 ROA3   Fr= 1--      87.736                390.810                 68.142
 CID3   Fr= 1--       5.661                 51.692                  5.175
 RC180  Fr= 1--       0.119                  0.474                 -0.116
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.15     0.02  -0.05   0.01    -0.03   0.10  -0.04
     2   6     0.07   0.07  -0.08     0.03  -0.05  -0.02    -0.04   0.04   0.06
     3   6    -0.06   0.05  -0.07    -0.08   0.01  -0.01    -0.07   0.02  -0.01
     4   6     0.03  -0.01   0.02     0.02   0.02  -0.00     0.00   0.00   0.01
     5   6     0.06   0.06  -0.02     0.05   0.02  -0.00     0.04   0.03  -0.00
     6   6     0.02  -0.03  -0.01     0.06  -0.03  -0.02     0.07  -0.04  -0.03
     7   8    -0.02  -0.04  -0.00    -0.02  -0.05  -0.01    -0.02  -0.05  -0.01
     8   6     0.01   0.05  -0.01    -0.02   0.06   0.01     0.05  -0.10   0.04
     9   6     0.10  -0.06  -0.03    -0.15   0.07  -0.07    -0.00   0.00   0.01
    10   6    -0.09  -0.08   0.03     0.16  -0.12   0.07     0.01  -0.05   0.01
    11   6    -0.03   0.02   0.02    -0.02   0.07   0.02    -0.02   0.07   0.02
    12   1     0.11   0.25   0.03    -0.14   0.20  -0.03     0.00  -0.06   0.01
    13   1     0.04  -0.36   0.10    -0.33   0.33  -0.10    -0.03   0.10  -0.01
    14   1    -0.22   0.32  -0.16    -0.16   0.07  -0.04    -0.11   0.05  -0.03
    15   1    -0.11   0.23  -0.11     0.28   0.07   0.09     0.07   0.04   0.02
    16   1     0.01  -0.31  -0.22     0.39  -0.11   0.10     0.03  -0.08  -0.02
    17   1    -0.00  -0.03  -0.04    -0.12   0.03   0.14     0.21  -0.04  -0.28
    18   1    -0.12  -0.13   0.22     0.05   0.12  -0.23    -0.08  -0.21   0.37
    19   1    -0.09  -0.13   0.20    -0.09   0.03   0.17     0.15  -0.06  -0.31
    20   1     0.07  -0.16  -0.06     0.03  -0.10  -0.02    -0.19   0.27   0.06
    21   1    -0.14   0.12   0.12    -0.12   0.11   0.13     0.11  -0.10  -0.23
    22   1    -0.06  -0.02   0.05    -0.09   0.02   0.08     0.24  -0.18  -0.26
    23   1    -0.02   0.02  -0.06     0.05   0.03  -0.04    -0.02   0.01  -0.02
    24   1     0.12   0.03   0.09     0.02   0.03  -0.05     0.01   0.03  -0.01
    25   1    -0.01   0.01   0.00    -0.18   0.06   0.04    -0.20   0.06   0.04
    26   1    -0.05   0.04   0.01    -0.17   0.05   0.07    -0.19   0.05   0.08
    27   1    -0.06   0.06   0.02     0.06  -0.08  -0.03     0.08  -0.10  -0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --    968.2197               980.4561              1003.1371
 Red. masses --      1.7288                 1.7372                 1.6633
 Frc consts  --      0.9549                 0.9839                 0.9862
 IR Inten    --     26.2578                 1.3638                 2.2693
 RamAct Fr= 1--     12.6776                 8.4436                 7.9209
  Dep-P Fr= 1--      0.1518                 0.2619                 0.3657
  Dep-U Fr= 1--      0.2636                 0.4151                 0.5355
 Alpha2 Fr= 1--      0.1951                 0.0968                 0.0660
 Beta2  Fr= 1--      0.5570                 0.5842                 0.7070
 AlphaG Fr= 1--      0.2242                 0.0491                -0.4891
 Gamma2 Fr= 1--     -0.2902                -0.3515                -0.8480
 Delta2 Fr= 1--     -0.4597                -0.3317                 0.7106
 Raman1 Fr= 1--      50.710                 33.775                 31.684
 ROA1   Fr= 1--     -42.564                -44.353                -58.673
 CID1   Fr= 1--      -0.839                 -1.313                 -1.852
 Raman2 Fr= 1--       6.684                  7.011                  8.484
 ROA2   Fr= 1--      -3.287                 -5.782                -26.038
 CID2   Fr= 1--      -0.492                 -0.825                 -3.069
 Raman3 Fr= 1--      13.368                 14.021                 16.968
 ROA3   Fr= 1--     -42.564                -44.353                -58.673
 CID3   Fr= 1--      -3.184                 -3.163                 -3.458
 RC180  Fr= 1--      -0.473                 -0.170                  0.071
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.01   0.06   0.06     0.05  -0.05  -0.04
     2   6    -0.00   0.02  -0.03    -0.00   0.02  -0.04     0.04  -0.11   0.02
     3   6     0.03  -0.08   0.01     0.09  -0.08   0.00     0.01   0.01  -0.08
     4   6    -0.03   0.01  -0.01     0.01   0.03   0.00    -0.02  -0.02   0.01
     5   6    -0.03  -0.01   0.02    -0.07  -0.06  -0.00    -0.02   0.02  -0.03
     6   6     0.10  -0.04  -0.03    -0.04   0.03   0.01     0.01  -0.00  -0.00
     7   8    -0.01  -0.06  -0.02     0.02   0.04   0.01     0.00  -0.01  -0.00
     8   6    -0.01   0.01  -0.04    -0.03  -0.02   0.00    -0.08   0.00   0.11
     9   6     0.04  -0.01   0.01    -0.08  -0.00  -0.11     0.07   0.03  -0.03
    10   6    -0.03   0.11  -0.01     0.05   0.01   0.06    -0.05   0.04   0.02
    11   6     0.02   0.14   0.03     0.03  -0.03  -0.01     0.01   0.02  -0.00
    12   1     0.02   0.02   0.00    -0.03   0.45   0.02     0.10   0.23   0.04
    13   1     0.13  -0.21   0.05    -0.25  -0.33   0.07    -0.04  -0.05   0.04
    14   1     0.07  -0.26   0.05     0.15  -0.10   0.02     0.02   0.20  -0.11
    15   1    -0.11  -0.04  -0.01    -0.02   0.07  -0.02    -0.04   0.16  -0.02
    16   1    -0.05   0.19   0.07     0.29   0.00   0.06    -0.02  -0.05  -0.07
    17   1    -0.04   0.02   0.01     0.12   0.00  -0.33    -0.08   0.03   0.07
    18   1    -0.02   0.02  -0.06    -0.17  -0.21   0.28     0.07   0.13  -0.29
    19   1    -0.06  -0.02   0.11    -0.04  -0.18   0.03    -0.07   0.02   0.14
    20   1     0.13  -0.13  -0.03    -0.01   0.13   0.06    -0.28   0.47   0.18
    21   1     0.02  -0.02   0.07     0.14  -0.11  -0.11     0.12  -0.07  -0.21
    22   1    -0.10   0.11   0.12    -0.00   0.11   0.01     0.11   0.06  -0.13
    23   1    -0.19   0.02   0.03     0.01   0.02   0.04    -0.06  -0.08   0.25
    24   1    -0.25   0.01  -0.03    -0.15  -0.06   0.05     0.01  -0.08   0.33
    25   1    -0.41   0.10   0.07     0.06  -0.03  -0.02    -0.07   0.02   0.02
    26   1    -0.38   0.06   0.15     0.05  -0.03  -0.02    -0.04  -0.01   0.02
    27   1     0.27  -0.31  -0.14     0.03  -0.02  -0.01     0.06  -0.06  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1009.7610              1024.5820              1049.8104
 Red. masses --      1.4208                 1.2707                 1.7335
 Frc consts  --      0.8536                 0.7859                 1.1257
 IR Inten    --      1.9126                28.0654                 0.2140
 RamAct Fr= 1--     12.3681                 1.2561                 1.6998
  Dep-P Fr= 1--      0.3386                 0.4236                 0.5610
  Dep-U Fr= 1--      0.5059                 0.5951                 0.7187
 Alpha2 Fr= 1--      0.1126                 0.0085                 0.0061
 Beta2  Fr= 1--      1.0428                 0.1246                 0.2036
 AlphaG Fr= 1--      0.4203                 0.3363                 0.1947
 Gamma2 Fr= 1--      4.3411                 0.4631                 0.5441
 Delta2 Fr= 1--      0.5398                -0.8073                -0.4103
 Raman1 Fr= 1--      49.472                  5.024                  6.799
 ROA1   Fr= 1--     434.024                 18.628                 39.106
 CID1   Fr= 1--       8.773                  3.708                  5.752
 Raman2 Fr= 1--      12.513                  1.495                  2.443
 ROA2   Fr= 1--      99.869                 17.573                 16.341
 CID2   Fr= 1--       7.981                 11.755                  6.688
 Raman3 Fr= 1--      25.027                  2.990                  4.887
 ROA3   Fr= 1--     434.024                 18.628                 39.106
 CID3   Fr= 1--      17.342                  6.230                  8.002
 RC180  Fr= 1--       0.012                  0.190                  0.437
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03  -0.01     0.02   0.02   0.01    -0.01  -0.01  -0.00
     2   6    -0.00   0.01  -0.03    -0.02   0.03   0.01     0.01  -0.01  -0.01
     3   6     0.09  -0.05   0.01    -0.02   0.02   0.02    -0.00  -0.01   0.00
     4   6    -0.02   0.01  -0.02    -0.02   0.01  -0.07     0.02  -0.01   0.06
     5   6    -0.05  -0.02   0.00    -0.00   0.02  -0.05    -0.01   0.01  -0.05
     6   6    -0.00   0.01   0.01     0.02  -0.02   0.06     0.04  -0.05   0.18
     7   8     0.01   0.01  -0.00    -0.01  -0.00  -0.01    -0.01   0.01  -0.03
     8   6     0.07   0.05   0.03     0.01  -0.01  -0.05     0.00   0.00   0.02
     9   6    -0.02  -0.01  -0.04    -0.01  -0.01   0.03     0.00   0.00  -0.01
    10   6     0.00   0.02   0.03     0.01  -0.04  -0.01    -0.00   0.02   0.00
    11   6     0.02   0.02  -0.01    -0.01   0.02  -0.06    -0.03   0.03  -0.13
    12   1     0.08  -0.08   0.06    -0.05  -0.09  -0.02     0.01   0.07   0.00
    13   1    -0.12  -0.01  -0.00     0.03   0.08  -0.02     0.01  -0.07   0.02
    14   1     0.07   0.26  -0.04     0.11  -0.01   0.06    -0.11  -0.08  -0.02
    15   1     0.15   0.15   0.09     0.02  -0.04  -0.00    -0.03  -0.01  -0.01
    16   1    -0.12  -0.12  -0.11     0.02  -0.01   0.01     0.00   0.04   0.02
    17   1     0.01  -0.11   0.34     0.03   0.03  -0.13    -0.01  -0.01   0.06
    18   1     0.10   0.02   0.17    -0.05  -0.04   0.03     0.02   0.02  -0.00
    19   1     0.19   0.15  -0.31    -0.04  -0.06   0.06     0.02   0.03  -0.03
    20   1    -0.12  -0.10  -0.09     0.14  -0.14  -0.04    -0.06   0.06   0.02
    21   1    -0.30   0.26   0.11     0.04  -0.05   0.04    -0.02   0.02  -0.02
    22   1     0.10  -0.29  -0.15    -0.07   0.07   0.09     0.03  -0.03  -0.04
    23   1    -0.07  -0.04   0.21     0.14  -0.18   0.60    -0.06   0.13  -0.45
    24   1    -0.13  -0.05   0.14     0.14  -0.14   0.52    -0.02   0.04  -0.17
    25   1    -0.08   0.02   0.02    -0.15   0.13   0.13    -0.30   0.30   0.28
    26   1    -0.02  -0.03   0.02     0.15  -0.15  -0.02     0.38  -0.36  -0.05
    27   1     0.09  -0.09  -0.02     0.03  -0.03   0.12     0.05  -0.06   0.28
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1089.9768              1156.1786              1172.4305
 Red. masses --      1.3648                 2.0951                 1.6569
 Frc consts  --      0.9554                 1.6501                 1.3419
 IR Inten    --     10.0059                 8.7249                15.9559
 RamAct Fr= 1--      6.9752                 6.3683                79.9209
  Dep-P Fr= 1--      0.3409                 0.2312                 0.3637
  Dep-U Fr= 1--      0.5084                 0.3755                 0.5334
 Alpha2 Fr= 1--      0.0631                 0.0795                 0.6708
 Beta2  Fr= 1--      0.5911                 0.3986                 7.1047
 AlphaG Fr= 1--     -0.0876                 0.1045                 0.3280
 Gamma2 Fr= 1--      0.3384                -2.2876                 4.3286
 Delta2 Fr= 1--      1.3099                -1.4374                -0.3157
 Raman1 Fr= 1--      27.901                 25.473                319.684
 ROA1   Fr= 1--      74.405               -265.609                405.440
 CID1   Fr= 1--       2.667                -10.427                  1.268
 Raman2 Fr= 1--       7.093                  4.783                 85.257
 ROA2   Fr= 1--      -2.357                -43.404                106.411
 CID2   Fr= 1--      -0.332                 -9.075                  1.248
 Raman3 Fr= 1--      14.186                  9.565                170.513
 ROA3   Fr= 1--      74.405               -265.609                405.440
 CID3   Fr= 1--       5.245                -27.768                  2.378
 RC180  Fr= 1--       0.017                 -0.249                  0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.02    -0.04  -0.01  -0.01    -0.05  -0.02  -0.05
     2   6     0.00   0.01   0.02     0.04  -0.00  -0.02     0.05   0.03   0.12
     3   6     0.10   0.02  -0.06     0.08   0.17   0.09    -0.05   0.05  -0.07
     4   6    -0.02  -0.05   0.06    -0.08  -0.10   0.02     0.01  -0.02   0.04
     5   6    -0.04   0.01  -0.00    -0.01   0.07   0.02    -0.01   0.01  -0.01
     6   6    -0.02  -0.00   0.02    -0.06  -0.00   0.01     0.02   0.00  -0.01
     7   8     0.01  -0.00  -0.00     0.00  -0.04  -0.01    -0.00   0.00   0.00
     8   6    -0.03  -0.01  -0.04    -0.01   0.01   0.01    -0.01  -0.00  -0.05
     9   6    -0.04  -0.02   0.02    -0.02  -0.04  -0.02     0.06  -0.05  -0.06
    10   6    -0.01  -0.02   0.02     0.04  -0.07  -0.10    -0.09  -0.02   0.05
    11   6     0.02   0.01  -0.01     0.05   0.03  -0.00    -0.01  -0.01   0.00
    12   1     0.04  -0.36   0.04    -0.16   0.35  -0.09     0.16   0.12   0.07
    13   1    -0.10   0.33  -0.08    -0.01  -0.14   0.01    -0.22   0.16  -0.02
    14   1     0.19   0.47  -0.09     0.34   0.25   0.17     0.48  -0.36   0.16
    15   1     0.17   0.13   0.08    -0.27  -0.41  -0.18     0.01   0.24   0.02
    16   1    -0.14  -0.16  -0.14     0.13   0.12   0.11     0.34  -0.01   0.07
    17   1     0.03   0.05  -0.20     0.01  -0.05   0.12     0.02  -0.07   0.18
    18   1    -0.07  -0.04  -0.01     0.04   0.01   0.07     0.12   0.06   0.05
    19   1    -0.07  -0.09   0.11     0.06   0.06  -0.10     0.13   0.15  -0.23
    20   1     0.13  -0.05   0.01    -0.03   0.04   0.02     0.17  -0.11  -0.02
    21   1     0.12  -0.12   0.00    -0.01   0.01  -0.01     0.07  -0.07   0.07
    22   1    -0.10   0.17   0.12     0.01   0.01  -0.01    -0.08   0.09   0.09
    23   1    -0.29   0.04  -0.18    -0.12  -0.08  -0.08    -0.06   0.02  -0.06
    24   1    -0.13   0.03  -0.04     0.23   0.07  -0.05    -0.08  -0.01   0.06
    25   1    -0.06   0.01   0.01    -0.10  -0.01  -0.02     0.02  -0.00   0.00
    26   1    -0.02  -0.02   0.02    -0.08  -0.02   0.05     0.01   0.01  -0.01
    27   1     0.08  -0.08  -0.02     0.15  -0.15  -0.07    -0.03   0.03   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1185.4253              1198.2971              1224.8745
 Red. masses --      1.8120                 1.9130                 1.5127
 Frc consts  --      1.5002                 1.6184                 1.3372
 IR Inten    --     14.7968                60.7830                 5.8358
 RamAct Fr= 1--      1.4808                 2.9241                16.9953
  Dep-P Fr= 1--      0.7118                 0.7460                 0.4261
  Dep-U Fr= 1--      0.8316                 0.8545                 0.5976
 Alpha2 Fr= 1--      0.0010                 0.0002                 0.1144
 Beta2  Fr= 1--      0.2052                 0.4165                 1.6927
 AlphaG Fr= 1--      0.0039                -0.0042                 0.0145
 Gamma2 Fr= 1--     -0.3007                 1.2459                -1.5610
 Delta2 Fr= 1--     -0.2803                 1.0050                -0.8861
 Raman1 Fr= 1--       5.923                 11.696                 67.981
 ROA1   Fr= 1--     -37.833                151.769               -178.208
 CID1   Fr= 1--      -6.387                 12.976                 -2.621
 Raman2 Fr= 1--       2.463                  4.997                 20.312
 ROA2   Fr= 1--      -4.974                 21.862                -30.375
 CID2   Fr= 1--      -2.020                  4.375                 -1.495
 Raman3 Fr= 1--       4.926                  9.995                 40.624
 ROA3   Fr= 1--     -37.833                151.769               -178.208
 CID3   Fr= 1--      -7.680                 15.185                 -4.387
 RC180  Fr= 1--       0.663                  0.709                  0.195
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.00     0.01  -0.00   0.00     0.03   0.04   0.02
     2   6     0.19   0.00  -0.00    -0.03  -0.01  -0.01    -0.10  -0.09  -0.04
     3   6     0.02  -0.05   0.06     0.01   0.06   0.03     0.03  -0.02   0.04
     4   6    -0.01   0.02  -0.05    -0.02  -0.05   0.01     0.00   0.01  -0.01
     5   6     0.00  -0.02   0.01    -0.01  -0.04  -0.01     0.01  -0.00   0.00
     6   6     0.04  -0.00  -0.01     0.22  -0.01  -0.05    -0.01  -0.00   0.01
     7   8    -0.00   0.01   0.00    -0.02   0.05   0.02     0.00  -0.00  -0.00
     8   6    -0.09  -0.01  -0.02     0.02   0.00   0.01     0.05   0.04   0.01
     9   6    -0.01  -0.06   0.02    -0.01   0.00  -0.01     0.10  -0.05  -0.02
    10   6    -0.04   0.03  -0.05     0.04  -0.02  -0.02    -0.07   0.02   0.01
    11   6    -0.02  -0.01   0.00    -0.10  -0.05   0.01     0.00   0.00  -0.00
    12   1    -0.03  -0.03  -0.00    -0.04   0.07  -0.02     0.15   0.02   0.04
    13   1    -0.07   0.26  -0.07     0.00  -0.05   0.01    -0.25   0.55  -0.10
    14   1    -0.52   0.25  -0.15     0.15   0.15   0.06    -0.13   0.10  -0.02
    15   1     0.02  -0.07   0.03    -0.15  -0.17  -0.10    -0.34  -0.05  -0.15
    16   1     0.18   0.23   0.16    -0.02   0.00  -0.00     0.40   0.18   0.19
    17   1     0.09  -0.10   0.14    -0.01   0.01  -0.02     0.03   0.05  -0.20
    18   1     0.07  -0.01   0.21    -0.01  -0.00  -0.02    -0.11  -0.07  -0.01
    19   1     0.12   0.07  -0.22    -0.02  -0.01   0.04    -0.04  -0.11   0.05
    20   1     0.08   0.14   0.10    -0.03  -0.01  -0.01    -0.08  -0.09  -0.08
    21   1     0.14  -0.14  -0.02    -0.04   0.04  -0.00    -0.16   0.15   0.07
    22   1    -0.10   0.30   0.13     0.03  -0.06  -0.03    -0.00  -0.14  -0.00
    23   1     0.02  -0.02   0.09    -0.32  -0.02   0.03    -0.01   0.01   0.00
    24   1    -0.06  -0.01  -0.02    -0.60  -0.04   0.12     0.00   0.00  -0.01
    25   1     0.03   0.01   0.02     0.12   0.06   0.08    -0.01  -0.00  -0.00
    26   1     0.02   0.01  -0.02     0.08   0.10  -0.08    -0.00  -0.01   0.00
    27   1    -0.07   0.07   0.04    -0.33   0.35   0.17     0.02  -0.02  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1245.7561              1267.5923              1282.9241
 Red. masses --      1.6186                 1.4689                 1.9230
 Frc consts  --      1.4800                 1.3906                 1.8648
 IR Inten    --     10.2939                 4.8132                 4.6136
 RamAct Fr= 1--     16.3991                 2.2674                10.5484
  Dep-P Fr= 1--      0.3063                 0.4845                 0.3243
  Dep-U Fr= 1--      0.4690                 0.6528                 0.4898
 Alpha2 Fr= 1--      0.1650                 0.0120                 0.1005
 Beta2  Fr= 1--      1.2818                 0.2467                 0.8611
 AlphaG Fr= 1--      0.0840                -0.0201                -0.0986
 Gamma2 Fr= 1--      0.3823                 1.5413                 2.0918
 Delta2 Fr= 1--     -2.9210                 0.7658                 1.0970
 Raman1 Fr= 1--      65.596                  9.070                 42.193
 ROA1   Fr= 1--     -56.769                172.472                235.923
 CID1   Fr= 1--      -0.865                 19.017                  5.591
 Raman2 Fr= 1--      15.382                  2.960                 10.334
 ROA2   Fr= 1--      32.545                 30.865                 41.428
 CID2   Fr= 1--       2.116                 10.426                  4.009
 Raman3 Fr= 1--      30.764                  5.920                 20.667
 ROA3   Fr= 1--     -56.769                172.472                235.923
 CID3   Fr= 1--      -1.845                 29.132                 11.415
 RC180  Fr= 1--      -0.062                  0.306                 -0.020
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07  -0.00     0.02  -0.02   0.02     0.01  -0.06   0.02
     2   6    -0.04   0.17  -0.01    -0.04   0.04  -0.08     0.00   0.18  -0.11
     3   6     0.02  -0.03   0.04     0.00  -0.02   0.01     0.01   0.02   0.01
     4   6     0.01   0.00  -0.01     0.02   0.01   0.01     0.00  -0.00  -0.02
     5   6     0.01  -0.00   0.00    -0.00  -0.01  -0.00     0.01  -0.00   0.00
     6   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
     7   8     0.00   0.00  -0.00     0.00   0.01   0.00     0.00  -0.00  -0.00
     8   6     0.01  -0.06   0.02     0.02  -0.01   0.03    -0.01  -0.06   0.04
     9   6    -0.01   0.07  -0.05     0.03  -0.04   0.08     0.01  -0.14   0.01
    10   6    -0.05  -0.06  -0.00    -0.09  -0.04  -0.10     0.06   0.04   0.07
    11   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   1     0.24  -0.49   0.11    -0.24   0.32  -0.13    -0.10   0.13  -0.05
    13   1    -0.03  -0.25   0.06     0.12   0.14  -0.02    -0.26   0.51  -0.12
    14   1    -0.05   0.22  -0.01     0.21   0.03   0.07    -0.02  -0.34   0.04
    15   1    -0.12  -0.04  -0.06     0.63   0.19   0.33    -0.23  -0.08  -0.09
    16   1     0.50   0.11   0.20     0.20   0.19   0.15    -0.28  -0.22  -0.20
    17   1    -0.15   0.04   0.15    -0.06   0.03   0.01    -0.13   0.03   0.14
    18   1     0.06   0.08  -0.17    -0.02  -0.00  -0.05     0.05   0.05  -0.08
    19   1    -0.06   0.11   0.15    -0.04  -0.00   0.09    -0.04   0.11   0.13
    20   1    -0.03   0.06   0.03    -0.08   0.06   0.01    -0.06   0.14   0.07
    21   1     0.11  -0.09  -0.16    -0.04   0.03  -0.07     0.05  -0.05  -0.18
    22   1     0.11  -0.02  -0.11     0.08  -0.04  -0.07     0.14   0.06  -0.12
    23   1    -0.01   0.00   0.01    -0.05   0.03  -0.01    -0.05  -0.01   0.04
    24   1    -0.06   0.00   0.01    -0.07  -0.01  -0.01    -0.03   0.00   0.00
    25   1    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
    26   1     0.00  -0.01   0.00     0.01   0.00  -0.00     0.00  -0.01   0.00
    27   1     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1311.1183              1325.3571              1342.3203
 Red. masses --      1.7779                 1.7302                 1.4733
 Frc consts  --      1.8007                 1.7907                 1.5640
 IR Inten    --     48.0088                31.0164                17.1671
 RamAct Fr= 1--     22.5296                 1.5832                32.3797
  Dep-P Fr= 1--      0.2391                 0.7473                 0.2485
  Dep-U Fr= 1--      0.3860                 0.8554                 0.3980
 Alpha2 Fr= 1--      0.2752                 0.0001                 0.3854
 Beta2  Fr= 1--      1.4493                 0.2257                 2.1479
 AlphaG Fr= 1--      0.1098                 0.0025                -0.0600
 Gamma2 Fr= 1--      4.2087                 1.1745                -0.0676
 Delta2 Fr= 1--      2.6384                -0.0125                -0.2465
 Raman1 Fr= 1--      90.118                  6.333                129.519
 ROA1   Fr= 1--     488.467                112.351                -14.379
 CID1   Fr= 1--       5.420                 17.741                 -0.111
 Raman2 Fr= 1--      17.392                  2.708                 25.775
 ROA2   Fr= 1--      79.902                 28.288                  0.350
 CID2   Fr= 1--       4.594                 10.444                  0.014
 Raman3 Fr= 1--      34.784                  5.417                 51.551
 ROA3   Fr= 1--     488.467                112.351                -14.379
 CID3   Fr= 1--      14.043                 20.741                 -0.279
 RC180  Fr= 1--      -0.228                  0.711                 -0.204
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.03     0.02  -0.02  -0.02     0.00  -0.00   0.00
     2   6    -0.08   0.06   0.17    -0.07   0.06   0.10    -0.00   0.00  -0.01
     3   6    -0.03  -0.04   0.00     0.08  -0.06  -0.03     0.06   0.04  -0.00
     4   6     0.06   0.05  -0.01    -0.08  -0.02   0.01    -0.06   0.10   0.04
     5   6     0.06  -0.06  -0.03    -0.09   0.05   0.04    -0.04  -0.11  -0.02
     6   6    -0.07   0.00   0.02     0.10  -0.01  -0.02     0.08  -0.00  -0.02
     7   8     0.01   0.01  -0.00    -0.02  -0.01   0.00    -0.01  -0.00   0.00
     8   6     0.02  -0.01  -0.04     0.01  -0.01  -0.03     0.00  -0.00   0.00
     9   6     0.02  -0.05  -0.02     0.02  -0.05  -0.01    -0.00   0.01  -0.01
    10   6     0.04   0.01  -0.03     0.00   0.02   0.00    -0.02  -0.02   0.01
    11   6     0.00   0.01   0.00    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00
    12   1    -0.13   0.47  -0.08    -0.07   0.27  -0.05     0.02  -0.06   0.00
    13   1    -0.04  -0.09   0.02    -0.08   0.00   0.01    -0.03  -0.02   0.01
    14   1    -0.27   0.37  -0.12    -0.11   0.24  -0.12    -0.02  -0.11  -0.00
    15   1    -0.04  -0.11  -0.03     0.02   0.01   0.02     0.02   0.03   0.02
    16   1    -0.08   0.04  -0.01    -0.04  -0.01  -0.03     0.04  -0.04  -0.01
    17   1    -0.06   0.03  -0.05    -0.06   0.04  -0.04    -0.00   0.00  -0.00
    18   1     0.08   0.11  -0.17     0.04   0.07  -0.13     0.00  -0.00   0.00
    19   1     0.05   0.13  -0.04     0.02   0.08   0.00    -0.01   0.01   0.01
    20   1     0.11  -0.12  -0.04     0.07  -0.09  -0.03    -0.01   0.01   0.00
    21   1     0.07  -0.06   0.06     0.07  -0.05   0.02    -0.01   0.01  -0.01
    22   1    -0.03  -0.06   0.02    -0.01  -0.06  -0.01     0.01   0.01  -0.00
    23   1    -0.51   0.08   0.15     0.73  -0.08  -0.20    -0.42   0.12   0.14
    24   1    -0.08  -0.06  -0.00     0.24   0.05  -0.04     0.78  -0.12  -0.21
    25   1     0.03  -0.03  -0.05    -0.05   0.06   0.10    -0.02   0.07   0.10
    26   1     0.04  -0.05   0.01    -0.08   0.10  -0.03    -0.05   0.10  -0.04
    27   1     0.06  -0.08  -0.03    -0.09   0.13   0.05    -0.08   0.09   0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1378.4203              1385.9666              1406.8266
 Red. masses --      1.6606                 1.3607                 1.2843
 Frc consts  --      1.8590                 1.5400                 1.4976
 IR Inten    --      0.8631                59.2340                 9.3879
 RamAct Fr= 1--     18.1595                 1.7096                 1.4061
  Dep-P Fr= 1--      0.3788                 0.2886                 0.2741
  Dep-U Fr= 1--      0.5494                 0.4479                 0.4303
 Alpha2 Fr= 1--      0.1449                 0.0181                 0.0156
 Beta2  Fr= 1--      1.6629                 0.1276                 0.1008
 AlphaG Fr= 1--     -0.0745                 0.0158                 0.0013
 Gamma2 Fr= 1--     -1.1227                -0.3250                 0.2439
 Delta2 Fr= 1--      0.1187                 0.0190                 0.1900
 Raman1 Fr= 1--      72.638                  6.838                  5.625
 ROA1   Fr= 1--    -103.978                -30.594                 29.493
 CID1   Fr= 1--      -1.431                 -4.474                  5.244
 Raman2 Fr= 1--      19.954                  1.532                  1.210
 ROA2   Fr= 1--     -27.894                 -7.952                  4.333
 CID2   Fr= 1--      -1.398                 -5.192                  3.581
 Raman3 Fr= 1--      39.909                  3.063                  2.420
 ROA3   Fr= 1--    -103.978                -30.594                 29.493
 CID3   Fr= 1--      -2.605                 -9.988                 12.185
 RC180  Fr= 1--       0.099                 -0.104                 -0.139
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.00  -0.00  -0.00     0.03   0.02  -0.08
     2   6     0.04   0.01  -0.04    -0.00   0.00  -0.00    -0.02   0.01   0.03
     3   6    -0.16  -0.14  -0.01     0.01  -0.01  -0.00     0.02   0.00  -0.00
     4   6     0.03   0.07   0.05    -0.03   0.01   0.01    -0.00  -0.01  -0.00
     5   6    -0.01  -0.03  -0.01    -0.02  -0.01   0.00    -0.00   0.00   0.00
     6   6     0.01  -0.00  -0.00     0.07  -0.01  -0.02    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.07  -0.08  -0.05
     9   6     0.00  -0.01   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    10   6     0.05   0.04  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00  -0.01  -0.00    -0.12   0.09   0.05     0.00   0.00  -0.00
    12   1     0.04   0.01   0.05     0.00  -0.00   0.00    -0.01   0.04  -0.01
    13   1     0.08   0.10  -0.05    -0.00   0.01  -0.00    -0.02  -0.03   0.01
    14   1     0.63   0.53   0.15     0.04   0.03   0.00    -0.07  -0.01  -0.03
    15   1    -0.22  -0.12  -0.15    -0.01   0.00  -0.00     0.02  -0.02   0.02
    16   1    -0.07   0.11   0.05    -0.00  -0.00  -0.00     0.03  -0.03  -0.03
    17   1     0.03  -0.03   0.06     0.00  -0.00   0.00    -0.05   0.03   0.34
    18   1     0.02  -0.02   0.07     0.00   0.00   0.00    -0.01  -0.21   0.27
    19   1    -0.04  -0.01   0.03    -0.01   0.00   0.01    -0.24  -0.05   0.26
    20   1    -0.02   0.06   0.02     0.00  -0.00  -0.00    -0.20   0.38   0.01
    21   1    -0.06   0.03  -0.02     0.00  -0.00  -0.00    -0.38   0.18   0.18
    22   1     0.02   0.08   0.01     0.00   0.00  -0.00    -0.12   0.30   0.32
    23   1     0.11   0.09  -0.05     0.08   0.00  -0.02     0.01  -0.01  -0.00
    24   1     0.20  -0.04  -0.04     0.10  -0.01  -0.02    -0.02   0.00   0.00
    25   1    -0.02   0.02   0.04     0.39  -0.22  -0.41    -0.00  -0.00  -0.00
    26   1    -0.03   0.04  -0.01     0.50  -0.34   0.06     0.00  -0.00   0.00
    27   1    -0.03   0.04   0.01     0.18  -0.40  -0.15     0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.8574              1464.8051              1474.3295
 Red. masses --      1.2283                 1.0589                 1.0480
 Frc consts  --      1.4672                 1.3387                 1.3421
 IR Inten    --      3.3188                14.4194                 9.2732
 RamAct Fr= 1--      1.4197                 7.3232                 5.0241
  Dep-P Fr= 1--      0.6579                 0.3936                 0.7499
  Dep-U Fr= 1--      0.7937                 0.5649                 0.8571
 Alpha2 Fr= 1--      0.0023                 0.0555                 0.0000
 Beta2  Fr= 1--      0.1878                 0.6895                 0.7177
 AlphaG Fr= 1--      0.0070                -0.0176                -0.0007
 Gamma2 Fr= 1--      0.1019                -0.4548                 0.0935
 Delta2 Fr= 1--     -0.0594                -0.1031                -0.0044
 Raman1 Fr= 1--       5.679                 29.293                 20.096
 ROA1   Fr= 1--       7.878                -46.961                  8.830
 CID1   Fr= 1--       1.387                 -1.603                  0.439
 Raman2 Fr= 1--       2.254                  8.273                  8.612
 ROA2   Fr= 1--       2.920                -10.091                  2.278
 CID2   Fr= 1--       1.296                 -1.220                  0.265
 Raman3 Fr= 1--       4.507                 16.547                 17.225
 ROA3   Fr= 1--       7.878                -46.961                  8.830
 CID3   Fr= 1--       1.748                 -2.838                  0.513
 RC180  Fr= 1--       0.587                  0.130                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.10     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00  -0.00   0.01
     6   6    -0.00  -0.00   0.00    -0.01   0.02   0.01    -0.00   0.01  -0.02
     7   8     0.00   0.00  -0.00     0.00  -0.02  -0.01     0.00  -0.00   0.00
     8   6    -0.05   0.07   0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.01  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.05  -0.03   0.00    -0.01   0.01  -0.05
    12   1    -0.05   0.02  -0.05     0.00  -0.00   0.00     0.00   0.00   0.00
    13   1    -0.06   0.01   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.02  -0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    15   1     0.01  -0.03   0.02     0.00  -0.01   0.00     0.00  -0.00   0.00
    16   1     0.02  -0.01  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.45    -0.01   0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.02  -0.26   0.35    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.31  -0.14   0.31     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.15  -0.29  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.31  -0.15  -0.09     0.00  -0.00   0.00    -0.00   0.00   0.00
    22   1     0.06  -0.27  -0.23    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1    -0.01   0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00   0.01
    24   1     0.00  -0.00  -0.01    -0.04   0.01   0.01     0.00   0.00  -0.01
    25   1    -0.00   0.00   0.00     0.32   0.36   0.40     0.48   0.10  -0.02
    26   1    -0.00   0.00  -0.00     0.17   0.54  -0.27    -0.45  -0.12   0.13
    27   1     0.00  -0.00   0.00     0.18  -0.39  -0.15     0.15  -0.18   0.69
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1482.5115              1484.4332              1493.6480
 Red. masses --      1.0670                 1.0506                 1.0623
 Frc consts  --      1.3818                 1.3639                 1.3963
 IR Inten    --      0.7195                 0.0417                 5.8390
 RamAct Fr= 1--      3.4146                 8.4190                 3.6945
  Dep-P Fr= 1--      0.7483                 0.7312                 0.6690
  Dep-U Fr= 1--      0.8560                 0.8447                 0.8017
 Alpha2 Fr= 1--      0.0001                 0.0027                 0.0053
 Beta2  Fr= 1--      0.4872                 1.1853                 0.4936
 AlphaG Fr= 1--      0.0003                 0.0002                 0.0227
 Gamma2 Fr= 1--      1.8969                -2.3999                -0.0935
 Delta2 Fr= 1--      0.4440                -0.6786                 0.7450
 Raman1 Fr= 1--      13.659                 33.676                 14.778
 ROA1   Fr= 1--     196.313               -252.109                 14.859
 CID1   Fr= 1--      14.373                 -7.486                  1.005
 Raman2 Fr= 1--       5.846                 14.223                  5.924
 ROA2   Fr= 1--      41.975                -52.169                 -8.205
 CID2   Fr= 1--       7.180                 -3.668                 -1.385
 Raman3 Fr= 1--      11.692                 28.447                 11.847
 ROA3   Fr= 1--     196.313               -252.109                 14.859
 CID3   Fr= 1--      16.790                 -8.863                  1.254
 RC180  Fr= 1--       0.712                  0.689                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01     0.03   0.01   0.01    -0.01   0.02  -0.00
     2   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.01    -0.02  -0.00   0.02
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.02  -0.00    -0.03  -0.01  -0.03    -0.01  -0.02   0.03
     9   6    -0.05  -0.01  -0.01    -0.02  -0.01  -0.00    -0.02  -0.01  -0.01
    10   6    -0.02   0.03   0.00    -0.01   0.02   0.00    -0.02   0.03   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    12   1     0.24   0.14   0.30     0.12   0.07   0.15     0.14   0.11   0.17
    13   1     0.35   0.09  -0.19     0.17   0.05  -0.09     0.20   0.03  -0.10
    14   1     0.00  -0.02   0.00     0.01   0.00   0.01    -0.04   0.01  -0.01
    15   1     0.05  -0.25   0.15     0.02  -0.17   0.09     0.05  -0.26   0.16
    16   1     0.17  -0.16  -0.17     0.11  -0.10  -0.11     0.18  -0.17  -0.18
    17   1    -0.05   0.03  -0.21    -0.28   0.18   0.13     0.23  -0.15   0.10
    18   1     0.21   0.03   0.22    -0.34  -0.22  -0.11     0.03   0.12  -0.13
    19   1    -0.05   0.33   0.15     0.15  -0.04  -0.17    -0.06  -0.27  -0.01
    20   1    -0.23   0.02  -0.09     0.35   0.26   0.21     0.16  -0.26   0.00
    21   1     0.18  -0.09   0.02    -0.04  -0.05   0.41    -0.23   0.18  -0.33
    22   1    -0.18  -0.21   0.16     0.12  -0.10  -0.24     0.22   0.38  -0.14
    23   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.00   0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    27   1    -0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.9638              1505.2722              1508.2948
 Red. masses --      1.1018                 1.0553                 1.0800
 Frc consts  --      1.4645                 1.4088                 1.4475
 IR Inten    --      3.7668                 7.8643                 5.7831
 RamAct Fr= 1--      9.2385                 3.4397                 1.4574
  Dep-P Fr= 1--      0.4342                 0.7499                 0.7433
  Dep-U Fr= 1--      0.6055                 0.8570                 0.8528
 Alpha2 Fr= 1--      0.0603                 0.0000                 0.0002
 Beta2  Fr= 1--      0.9324                 0.4913                 0.2071
 AlphaG Fr= 1--      0.0020                 0.0010                 0.0005
 Gamma2 Fr= 1--     -0.5147                 0.7870                 0.0812
 Delta2 Fr= 1--     -1.0339                -0.9719                 0.1303
 Raman1 Fr= 1--      36.954                 13.759                  5.830
 ROA1   Fr= 1--     -82.492                 44.446                 11.966
 CID1   Fr= 1--      -2.232                  3.230                  2.053
 Raman2 Fr= 1--      11.188                  5.896                  2.486
 ROA2   Fr= 1--      -4.080                 26.662                  0.907
 CID2   Fr= 1--      -0.365                  4.522                  0.365
 Raman3 Fr= 1--      22.377                 11.792                  4.971
 ROA3   Fr= 1--     -82.492                 44.446                 11.966
 CID3   Fr= 1--      -3.687                  3.769                  2.407
 RC180  Fr= 1--       0.211                  0.714                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01     0.00  -0.03  -0.02    -0.03  -0.00   0.01
     2   6    -0.03   0.02  -0.01    -0.01  -0.04   0.00    -0.01  -0.00  -0.02
     3   6     0.02   0.01   0.01     0.01   0.00   0.00    -0.01  -0.01  -0.00
     4   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.01  -0.02    -0.03  -0.01   0.01    -0.01  -0.00  -0.02
     9   6    -0.04  -0.02  -0.01     0.01   0.01   0.00     0.04   0.02   0.01
    10   6     0.02  -0.05   0.00     0.00  -0.01  -0.00    -0.02   0.04   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.20   0.13   0.25    -0.02  -0.02  -0.03    -0.18  -0.12  -0.22
    13   1     0.28   0.09  -0.17    -0.02  -0.01   0.02    -0.25  -0.05   0.14
    14   1    -0.05  -0.03  -0.01    -0.02  -0.00  -0.00     0.03   0.02   0.01
    15   1    -0.05   0.34  -0.19    -0.01   0.10  -0.05     0.05  -0.28   0.16
    16   1    -0.21   0.19   0.24    -0.06   0.07   0.07     0.19  -0.16  -0.19
    17   1     0.31  -0.21   0.04    -0.16   0.10  -0.29     0.31  -0.21  -0.12
    18   1     0.20   0.20  -0.03     0.23  -0.04   0.34     0.29   0.25   0.01
    19   1    -0.15  -0.19   0.12    -0.05   0.49   0.19    -0.13  -0.06   0.13
    20   1     0.16   0.17   0.11     0.35  -0.07   0.12     0.16   0.25   0.13
    21   1     0.00  -0.05   0.25    -0.23   0.13  -0.02     0.00  -0.06   0.34
    22   1     0.04  -0.11  -0.12     0.25   0.24  -0.26     0.02  -0.16  -0.10
    23   1    -0.01  -0.00   0.00     0.01  -0.01   0.00     0.01   0.00  -0.01
    24   1    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
    25   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1674.9731              1763.3000              3013.7268
 Red. masses --      6.8538                 8.4458                 1.0782
 Frc consts  --     11.3291                15.4719                 5.7699
 IR Inten    --    257.1682               111.8844                 8.4445
 RamAct Fr= 1--    590.4313                20.5598                74.1469
  Dep-P Fr= 1--      0.2704                 0.7344                 0.4372
  Dep-U Fr= 1--      0.4257                 0.8469                 0.6084
 Alpha2 Fr= 1--      6.6037                 0.0055                 0.4782
 Beta2  Fr= 1--     41.8948                 2.9019                 7.5180
 AlphaG Fr= 1--      3.0255                 0.0343                -0.4866
 Gamma2 Fr= 1--     36.4283                -1.5904                -1.7803
 Delta2 Fr= 1--     -0.2033                -0.1782                -9.5506
 Raman1 Fr= 1--    2361.725                 82.239                296.588
 ROA1   Fr= 1--    3490.613               -158.383               -476.534
 CID1   Fr= 1--       1.478                 -1.926                 -1.607
 Raman2 Fr= 1--     502.738                 34.823                 90.216
 ROA2   Fr= 1--     875.907                -36.744                 33.677
 CID2   Fr= 1--       1.742                 -1.055                  0.373
 Raman3 Fr= 1--    1005.476                 69.647                180.432
 ROA3   Fr= 1--    3490.613               -158.383               -476.534
 CID3   Fr= 1--       3.472                 -2.274                 -2.641
 RC180  Fr= 1--      -0.149                  0.694                  0.217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.02   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.06  -0.01   0.02     0.03  -0.01  -0.01     0.02  -0.01  -0.07
     4   6     0.42  -0.14  -0.14    -0.21   0.09   0.08     0.00   0.00  -0.00
     5   6    -0.40   0.13   0.13     0.20  -0.12  -0.08    -0.00  -0.00  -0.00
     6   6     0.10   0.25   0.04     0.05   0.58   0.14     0.00   0.00  -0.00
     7   8    -0.04  -0.17  -0.04    -0.05  -0.37  -0.08     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01   0.01
     9   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00   0.01
    11   6     0.00  -0.01  -0.00    -0.00  -0.04  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    13   1     0.03   0.01  -0.01    -0.01   0.00   0.00     0.01   0.01   0.02
    14   1    -0.14  -0.00  -0.01     0.09   0.03   0.00    -0.28   0.12   0.90
    15   1    -0.02  -0.01  -0.03     0.01   0.01   0.01     0.04  -0.02  -0.06
    16   1     0.00   0.03   0.03    -0.00  -0.01  -0.01    -0.00   0.03  -0.03
    17   1     0.02  -0.01   0.00    -0.01   0.00   0.00    -0.01  -0.01  -0.00
    18   1     0.02   0.01  -0.00    -0.01  -0.00  -0.00    -0.01   0.01   0.00
    19   1    -0.02  -0.01   0.03     0.01  -0.00  -0.01     0.01  -0.00   0.01
    20   1     0.01   0.00   0.00    -0.00   0.00  -0.00     0.06   0.06  -0.16
    21   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.09  -0.14  -0.02
    22   1     0.01  -0.02  -0.02    -0.00  -0.00   0.00     0.12  -0.03   0.10
    23   1    -0.48  -0.11   0.09     0.24   0.09  -0.03    -0.00  -0.04  -0.01
    24   1     0.37   0.16  -0.03    -0.41  -0.14   0.05     0.00   0.01   0.00
    25   1     0.02  -0.06  -0.08     0.03  -0.11  -0.13    -0.00   0.00  -0.00
    26   1     0.04  -0.09   0.02     0.06  -0.16   0.03     0.00   0.00   0.00
    27   1    -0.06   0.10   0.04    -0.11   0.19   0.08    -0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3018.7105              3029.3449              3029.5849
 Red. masses --      1.0382                 1.0359                 1.0378
 Frc consts  --      5.5740                 5.6010                 5.6123
 IR Inten    --     35.2990                21.3312                 3.2202
 RamAct Fr= 1--    148.3321               212.2249               188.8591
  Dep-P Fr= 1--      0.0305                 0.0212                 0.0150
  Dep-U Fr= 1--      0.0591                 0.0415                 0.0295
 Alpha2 Fr= 1--      3.0688                 4.4875                 4.0523
 Beta2  Fr= 1--      1.4622                 1.4693                 0.9296
 AlphaG Fr= 1--     -0.8502                 0.2182                -0.5787
 Gamma2 Fr= 1--     -3.1634                 2.5553                -0.3284
 Delta2 Fr= 1--     -2.0422                 0.5495                 1.7875
 Raman1 Fr= 1--     593.328                848.899                755.437
 ROA1   Fr= 1--    -369.033                262.897                 25.673
 CID1   Fr= 1--      -0.622                  0.310                  0.034
 Raman2 Fr= 1--      17.546                 17.632                 11.155
 ROA2   Fr= 1--     -59.584                 56.932                -22.181
 CID2   Fr= 1--      -3.396                  3.229                 -1.989
 Raman3 Fr= 1--      35.092                 35.264                 22.309
 ROA3   Fr= 1--    -369.033                262.897                 25.673
 CID3   Fr= 1--     -10.516                  7.455                  1.151
 RC180  Fr= 1--      -0.882                 -0.917                 -0.941
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.02  -0.04    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.02    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.03  -0.04  -0.01    -0.01   0.01   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.04  -0.02
    12   1     0.03   0.00  -0.03    -0.05  -0.01   0.05     0.00   0.00  -0.00
    13   1     0.01   0.01   0.03    -0.02  -0.02  -0.07     0.00   0.00   0.00
    14   1    -0.08   0.03   0.25     0.02  -0.01  -0.08    -0.00  -0.00   0.00
    15   1     0.01  -0.01  -0.02     0.01  -0.01  -0.02    -0.00   0.00   0.00
    16   1    -0.00   0.01  -0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    17   1    -0.07  -0.12  -0.01    -0.29  -0.46  -0.05     0.01   0.01   0.00
    18   1    -0.06   0.08   0.04    -0.28   0.35   0.19     0.01  -0.01  -0.01
    19   1     0.13  -0.03   0.09     0.50  -0.10   0.37    -0.01   0.00  -0.01
    20   1    -0.16  -0.15   0.43     0.04   0.04  -0.11    -0.00  -0.00   0.00
    21   1     0.30   0.46   0.06    -0.07  -0.11  -0.02     0.00   0.00   0.00
    22   1    -0.45   0.11  -0.34     0.10  -0.03   0.07    -0.00   0.00  -0.00
    23   1    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.00   0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.02  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.02  -0.01    -0.07   0.50  -0.41
    26   1    -0.00  -0.00  -0.00     0.00   0.01   0.02     0.15   0.24   0.60
    27   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.31  -0.20   0.02
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3051.4533              3066.2845              3076.2809
 Red. masses --      1.0575                 1.0594                 1.1011
 Frc consts  --      5.8017                 5.8688                 6.1396
 IR Inten    --     46.2053                22.3661                16.4403
 RamAct Fr= 1--    186.1472               130.6958                51.9101
  Dep-P Fr= 1--      0.0964                 0.0559                 0.6764
  Dep-U Fr= 1--      0.1759                 0.1059                 0.8070
 Alpha2 Fr= 1--      3.2877                 2.5454                 0.0675
 Beta2  Fr= 1--      5.4574                 2.3078                 6.9816
 AlphaG Fr= 1--     -0.0968                 0.1741                 0.0891
 Gamma2 Fr= 1--      2.6228                 3.0489                -2.0734
 Delta2 Fr= 1--     -3.4666                -6.4926                 2.7360
 Raman1 Fr= 1--     744.589                522.783                207.640
 ROA1   Fr= 1--     140.858                 84.931               -111.497
 CID1   Fr= 1--       0.189                  0.162                 -0.537
 Raman2 Fr= 1--      65.488                 27.693                 83.779
 ROA2   Fr= 1--      90.679                125.115                -71.650
 CID2   Fr= 1--       1.385                  4.518                 -0.855
 Raman3 Fr= 1--     130.977                 55.386                167.558
 ROA3   Fr= 1--     140.858                 84.931               -111.497
 CID3   Fr= 1--       1.075                  1.533                 -0.665
 RC180  Fr= 1--      -0.648                 -0.788                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.00     0.02   0.01   0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.07  -0.03  -0.04
     9   6    -0.06  -0.02  -0.01    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.03  -0.06  -0.01     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.51   0.08  -0.52     0.13   0.02  -0.12    -0.00   0.00   0.00
    13   1     0.21   0.20   0.58    -0.00  -0.00   0.00     0.01   0.01   0.03
    14   1     0.01  -0.01  -0.05    -0.01   0.00   0.02    -0.00  -0.00   0.01
    15   1     0.03  -0.02  -0.05    -0.42   0.22   0.60    -0.01   0.00   0.01
    16   1    -0.01  -0.10   0.10     0.02   0.43  -0.44     0.00   0.02  -0.02
    17   1    -0.03  -0.05  -0.00    -0.02  -0.02  -0.00    -0.08  -0.13  -0.01
    18   1    -0.02   0.03   0.02     0.02  -0.03  -0.02    -0.01   0.03   0.02
    19   1     0.04  -0.01   0.03     0.05  -0.01   0.04    -0.11   0.03  -0.08
    20   1     0.00   0.00  -0.01     0.01   0.01  -0.02    -0.03  -0.02   0.02
    21   1    -0.03  -0.05  -0.01    -0.01  -0.02  -0.00     0.35   0.57   0.07
    22   1     0.04  -0.01   0.03    -0.01   0.00  -0.00     0.54  -0.16   0.41
    23   1     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00  -0.01  -0.00
    24   1     0.00   0.00   0.00    -0.00  -0.03  -0.01    -0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.3649              3085.1440              3088.1857
 Red. masses --      1.0984                 1.1019                 1.1012
 Frc consts  --      6.1448                 6.1796                 6.1878
 IR Inten    --      8.9887                23.6008                38.2279
 RamAct Fr= 1--     54.9530                51.2212                79.6859
  Dep-P Fr= 1--      0.7467                 0.7115                 0.7454
  Dep-U Fr= 1--      0.8550                 0.8314                 0.8542
 Alpha2 Fr= 1--      0.0031                 0.0341                 0.0062
 Beta2  Fr= 1--      7.8307                 7.0978                11.3440
 AlphaG Fr= 1--      0.0087                -0.0457                 0.0137
 Gamma2 Fr= 1--      0.5585                14.0124                15.2783
 Delta2 Fr= 1--     -1.3163                 5.8106                 9.9933
 Raman1 Fr= 1--     219.812                204.885                318.744
 ROA1   Fr= 1--      11.496               1531.133               1786.506
 CID1   Fr= 1--       0.052                  7.473                  5.605
 Raman2 Fr= 1--      93.968                 85.173                136.128
 ROA2   Fr= 1--      23.935                289.813                286.734
 CID2   Fr= 1--       0.255                  3.403                  2.106
 Raman3 Fr= 1--     187.937                170.347                272.256
 ROA3   Fr= 1--      11.496               1531.133               1786.506
 CID3   Fr= 1--       0.061                  8.988                  6.562
 RC180  Fr= 1--       0.710                  0.663                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.08  -0.02  -0.03
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.02   0.05  -0.07    -0.02  -0.01  -0.01
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.02    -0.00   0.00   0.01
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    11   6    -0.02   0.02  -0.09    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.00  -0.00   0.00     0.07   0.01  -0.06     0.06   0.01  -0.05
    13   1     0.00   0.00   0.00    -0.05  -0.05  -0.14    -0.03  -0.03  -0.08
    14   1    -0.00   0.00   0.00    -0.01   0.00   0.03     0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    16   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.06   0.06
    17   1     0.00   0.00   0.00     0.02   0.04   0.00     0.32   0.53   0.04
    18   1     0.00  -0.00  -0.00    -0.04   0.05   0.03     0.11  -0.16  -0.10
    19   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.54  -0.12   0.42
    20   1     0.00   0.00  -0.00    -0.28  -0.24   0.75     0.01   0.01  -0.02
    21   1     0.00   0.00   0.00    -0.20  -0.31  -0.06     0.08   0.14   0.02
    22   1     0.00  -0.00   0.00     0.28  -0.06   0.19     0.11  -0.03   0.08
    23   1    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.03  -0.01
    24   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    25   1     0.08  -0.56   0.43     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.16   0.27   0.62     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00   0.01  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3095.0380              3097.5290              3115.2948
 Red. masses --      1.1075                 1.1009                 1.1076
 Frc consts  --      6.2507                 6.2237                 6.3335
 IR Inten    --     15.5652                32.2786                45.9316
 RamAct Fr= 1--    103.5970                25.2080                75.0684
  Dep-P Fr= 1--      0.5924                 0.5816                 0.5910
  Dep-U Fr= 1--      0.7440                 0.7354                 0.7429
 Alpha2 Fr= 1--      0.3039                 0.0795                 0.2223
 Beta2  Fr= 1--     12.8462                 3.0898                 9.2948
 AlphaG Fr= 1--      0.2974                 0.1392                 0.5567
 Gamma2 Fr= 1--    -27.5688                 6.5199                -3.7954
 Delta2 Fr= 1--     -2.0368                -1.5305                -3.4996
 Raman1 Fr= 1--     414.388                100.832                300.274
 ROA1   Fr= 1--   -2711.778                576.939               -476.346
 CID1   Fr= 1--      -6.544                  5.722                 -1.586
 Raman2 Fr= 1--     154.154                 37.078                111.537
 ROA2   Fr= 1--    -645.356                168.722                -63.092
 CID2   Fr= 1--      -4.186                  4.550                 -0.566
 Raman3 Fr= 1--     308.308                 74.156                223.075
 ROA3   Fr= 1--   -2711.778                576.939               -476.346
 CID3   Fr= 1--      -8.796                  7.780                 -2.135
 RC180  Fr= 1--       0.488                  0.471                  0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.03  -0.08  -0.02    -0.00   0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.01  -0.08    -0.00  -0.00  -0.01    -0.01   0.00   0.04
    10   6    -0.01  -0.02   0.04    -0.00  -0.01   0.01    -0.03  -0.02   0.08
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.38  -0.07   0.37    -0.03  -0.01   0.03     0.24   0.04  -0.23
    13   1     0.23   0.21   0.58     0.03   0.03   0.08    -0.10  -0.09  -0.26
    14   1     0.01  -0.00  -0.03     0.00  -0.00  -0.02     0.02  -0.01  -0.07
    15   1     0.11  -0.06  -0.15     0.03  -0.02  -0.05     0.33  -0.19  -0.46
    16   1     0.01   0.28  -0.27     0.00   0.14  -0.13     0.01   0.46  -0.44
    17   1    -0.00   0.01   0.00     0.29   0.42   0.03    -0.03  -0.05  -0.00
    18   1     0.09  -0.12  -0.07    -0.47   0.57   0.34     0.07  -0.08  -0.05
    19   1     0.11  -0.02   0.09    -0.13   0.01  -0.11     0.02  -0.00   0.01
    20   1    -0.05  -0.04   0.14     0.01   0.01  -0.04     0.02   0.01  -0.05
    21   1    -0.04  -0.06  -0.01     0.02   0.03   0.01     0.01   0.01   0.00
    22   1     0.05  -0.01   0.03    -0.01   0.00  -0.00    -0.01   0.00  -0.01
    23   1     0.00   0.01   0.00    -0.00  -0.03  -0.01     0.00   0.00   0.00
    24   1     0.00   0.01   0.00    -0.00   0.00   0.00     0.00   0.04   0.01
    25   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3132.4104              3145.4259              3162.4221
 Red. masses --      1.0876                 1.1009                 1.0885
 Frc consts  --      6.2873                 6.4172                 6.4137
 IR Inten    --      2.4319                13.2164                 9.7929
 RamAct Fr= 1--     60.8299                90.7355                34.7780
  Dep-P Fr= 1--      0.1713                 0.5297                 0.2396
  Dep-U Fr= 1--      0.2925                 0.6926                 0.3865
 Alpha2 Fr= 1--      0.8905                 0.3871                 0.4243
 Beta2  Fr= 1--      2.9652                10.4736                 2.2405
 AlphaG Fr= 1--      0.4300                 0.1994                -0.4234
 Gamma2 Fr= 1--     -0.6675                 2.7836                 1.0140
 Delta2 Fr= 1--     -0.2426                 1.9089                 2.3271
 Raman1 Fr= 1--     243.320                362.942                139.112
 ROA1   Fr= 1--     -71.848                328.313                171.810
 CID1   Fr= 1--      -0.295                  0.905                  1.235
 Raman2 Fr= 1--      35.582                125.683                 26.887
 ROA2   Fr= 1--     -14.080                 51.536                  5.719
 CID2   Fr= 1--      -0.396                  0.410                  0.213
 Raman3 Fr= 1--      71.165                251.366                 53.773
 ROA3   Fr= 1--     -71.848                328.313                171.810
 CID3   Fr= 1--      -1.010                  1.306                  3.195
 RC180  Fr= 1--      -0.415                  0.385                 -0.227
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.08  -0.02     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     5   6    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.08  -0.02
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.07  -0.06  -0.00    -0.00  -0.00  -0.00
    12   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.01   0.00   0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.03   0.02   0.04
    16   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    17   1     0.02   0.03   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.01   0.02   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   1     0.12   0.95   0.24     0.00   0.01   0.00     0.01   0.09   0.02
    24   1    -0.01  -0.08  -0.02    -0.00  -0.05  -0.01     0.06   0.96   0.25
    25   1     0.00  -0.00   0.00    -0.04   0.19  -0.16    -0.00   0.02  -0.02
    26   1    -0.00  -0.00  -0.00     0.05   0.08   0.23     0.00   0.01   0.02
    27   1    -0.01  -0.01   0.00     0.79   0.49  -0.05     0.03   0.02  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   808.577473413.420373717.07857
           X            0.99972  -0.02293  -0.00628
           Y            0.02295   0.99973   0.00378
           Z            0.00619  -0.00392   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10712     0.02537     0.02330
 Rotational constants (GHZ):           2.23200     0.52872     0.48553
 Zero-point vibrational energy     621400.4 (Joules/Mol)
                                  148.51826 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.36   103.22   120.24   165.64   195.56
          (Kelvin)            231.06   308.76   348.55   364.88   387.10
                              406.13   508.63   535.01   579.39   691.22
                              778.35   834.87   857.16   917.53  1068.50
                             1128.72  1242.56  1259.52  1289.75  1319.93
                             1364.47  1381.83  1393.05  1410.66  1443.29
                             1452.82  1474.15  1510.44  1568.23  1663.48
                             1686.87  1705.56  1724.08  1762.32  1792.37
                             1823.78  1845.84  1886.41  1906.89  1931.30
                             1983.24  1994.10  2024.11  2048.61  2107.53
                             2121.23  2133.00  2135.77  2149.03  2160.99
                             2165.75  2170.10  2409.91  2537.00  4336.08
                             4343.25  4358.55  4358.90  4390.36  4411.70
                             4426.08  4433.40  4438.83  4443.21  4453.07
                             4456.65  4482.21  4506.84  4525.57  4550.02
 
 Zero-point correction=                           0.236679 (Hartree/Particle)
 Thermal correction to Energy=                    0.249236
 Thermal correction to Enthalpy=                  0.250180
 Thermal correction to Gibbs Free Energy=         0.197628
 Sum of electronic and zero-point Energies=           -465.874871
 Sum of electronic and thermal Energies=              -465.862314
 Sum of electronic and thermal Enthalpies=            -465.861370
 Sum of electronic and thermal Free Energies=         -465.913922
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.398             46.454            110.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.707
 Vibrational            154.620             40.493             38.929
 Vibration     1          0.594              1.983              5.563
 Vibration     2          0.598              1.967              4.105
 Vibration     3          0.600              1.960              3.805
 Vibration     4          0.608              1.937              3.181
 Vibration     5          0.614              1.917              2.860
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.645              1.819              2.004
 Vibration     8          0.658              1.776              1.786
 Vibration     9          0.665              1.757              1.705
 Vibration    10          0.673              1.730              1.602
 Vibration    11          0.681              1.706              1.520
 Vibration    12          0.730              1.568              1.150
 Vibration    13          0.744              1.530              1.072
 Vibration    14          0.768              1.464              0.953
 Vibration    15          0.837              1.293              0.709
 Vibration    16          0.896              1.159              0.563
 Vibration    17          0.937              1.074              0.485
 Vibration    18          0.954              1.041              0.457
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.125162D-90        -90.902527       -209.310803
 Total V=0       0.916473D+18         17.962120         41.359309
 Vib (Bot)       0.148026-104       -104.829663       -241.379219
 Vib (Bot)    1  0.603301D+01          0.780534          1.797247
 Vib (Bot)    2  0.287398D+01          0.458483          1.055697
 Vib (Bot)    3  0.246287D+01          0.391442          0.901329
 Vib (Bot)    4  0.177706D+01          0.249703          0.574962
 Vib (Bot)    5  0.149757D+01          0.175386          0.403842
 Vib (Bot)    6  0.125865D+01          0.099905          0.230039
 Vib (Bot)    7  0.923789D+00         -0.034427         -0.079271
 Vib (Bot)    8  0.808556D+00         -0.092290         -0.212505
 Vib (Bot)    9  0.768265D+00         -0.114489         -0.263621
 Vib (Bot)   10  0.718670D+00         -0.143471         -0.330353
 Vib (Bot)   11  0.680291D+00         -0.167305         -0.385235
 Vib (Bot)   12  0.520699D+00         -0.283413         -0.652582
 Vib (Bot)   13  0.488988D+00         -0.310702         -0.715417
 Vib (Bot)   14  0.441734D+00         -0.354840         -0.817048
 Vib (Bot)   15  0.348000D+00         -0.458421         -1.055553
 Vib (Bot)   16  0.292593D+00         -0.533737         -1.228974
 Vib (Bot)   17  0.262537D+00         -0.580809         -1.337362
 Vib (Bot)   18  0.251730D+00         -0.599064         -1.379397
 Vib (V=0)       0.108389D+05          4.034983          9.290893
 Vib (V=0)    1  0.655370D+01          0.816486          1.880030
 Vib (V=0)    2  0.341715D+01          0.533664          1.228806
 Vib (V=0)    3  0.301311D+01          0.479016          1.102974
 Vib (V=0)    4  0.234606D+01          0.370340          0.852739
 Vib (V=0)    5  0.207883D+01          0.317819          0.731806
 Vib (V=0)    6  0.185433D+01          0.268186          0.617521
 Vib (V=0)    7  0.155042D+01          0.190450          0.438527
 Vib (V=0)    8  0.145066D+01          0.161567          0.372022
 Vib (V=0)    9  0.141664D+01          0.151260          0.348289
 Vib (V=0)   10  0.137549D+01          0.138458          0.318811
 Vib (V=0)   11  0.134427D+01          0.128487          0.295853
 Vib (V=0)   12  0.122189D+01          0.087033          0.200400
 Vib (V=0)   13  0.119936D+01          0.078951          0.181791
 Vib (V=0)   14  0.116718D+01          0.067138          0.154590
 Vib (V=0)   15  0.110918D+01          0.045003          0.103624
 Vib (V=0)   16  0.107932D+01          0.033150          0.076330
 Vib (V=0)   17  0.106474D+01          0.027242          0.062726
 Vib (V=0)   18  0.105979D+01          0.025221          0.058074
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.114657D+07          6.059402         13.952289
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001894   -0.000000058    0.000000503
      2        6          -0.000002077   -0.000001999   -0.000006228
      3        6           0.000000384    0.000000065    0.000007651
      4        6           0.000000217   -0.000000087   -0.000001656
      5        6          -0.000000359    0.000000185    0.000000581
      6        6          -0.000000498    0.000000281   -0.000001469
      7        8           0.000000459    0.000002700   -0.000003676
      8        6           0.000001214   -0.000000493    0.000001271
      9        6           0.000006648    0.000001630    0.000002585
     10        6          -0.000003629   -0.000000788   -0.000000086
     11        6           0.000001856    0.000001215    0.000002280
     12        1          -0.000000147   -0.000001215    0.000002219
     13        1          -0.000002750   -0.000002514    0.000001507
     14        1           0.000001361    0.000002209   -0.000000889
     15        1           0.000001162   -0.000000593    0.000001729
     16        1           0.000001157   -0.000000197    0.000002066
     17        1          -0.000001205   -0.000000979   -0.000001196
     18        1          -0.000001429   -0.000000967    0.000000216
     19        1          -0.000001986   -0.000002231    0.000000728
     20        1          -0.000000155    0.000000606    0.000000203
     21        1          -0.000000370    0.000000496   -0.000000952
     22        1          -0.000001759   -0.000000350    0.000000024
     23        1           0.000000247    0.000001157   -0.000001267
     24        1           0.000000399    0.000000245   -0.000000096
     25        1           0.000000073   -0.000000007   -0.000001950
     26        1          -0.000000581    0.000000580   -0.000002111
     27        1          -0.000000127    0.000001109   -0.000001985
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007651 RMS     0.000001912
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.164694D+03 -0.310971D+01 -0.547170D+01
      2  -0.310971D+01  0.117645D+03  0.218569D+01
      3  -0.547170D+01  0.218569D+01  0.100804D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.994025D-01  0.476680D+01 -0.695628D+01
      2   0.350942D+02 -0.106579D+02  0.293380D+02
      3   0.230763D+02 -0.119943D+02  0.116341D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.656645D+02 -0.123257D+02  0.204435D+02
      2   0.152978D+02  0.168612D+02 -0.313040D+02
      3   0.503667D+02 -0.453549D+01  0.108605D+02
      4   0.388463D+01  0.225187D+02 -0.224337D+02
      5   0.281256D+02 -0.239439D+02  0.752579D+02
      6  -0.319293D+01 -0.315301D+01  0.122150D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.313434D+01  0.115096D+01 -0.377727D+01  0.376241D+00  0.354686D+01
      2   0.115096D+01  0.360944D+01  0.218449D+01  0.354686D+01  0.212928D+01
      3  -0.377727D+01  0.218449D+01 -0.334160D+01  0.208885D+01 -0.150432D+01
                 6             7             8             9            10 
      1   0.208885D+01 -0.341814D+01  0.259374D+01 -0.303021D+01  0.218461D+02
      2  -0.150432D+01  0.259374D+01 -0.921779D+00 -0.984116D+00 -0.251340D+01
      3  -0.152201D+01 -0.303021D+01 -0.984116D+00  0.838479D+00  0.342508D+01
                11            12            13            14            15 
      1  -0.251340D+01  0.342508D+01 -0.104775D+02 -0.211697D+01 -0.260039D+01
      2  -0.260365D+01 -0.209252D+01 -0.211697D+01 -0.451920D+01  0.104167D+01
      3  -0.209252D+01  0.325672D+01 -0.260039D+01  0.104167D+01  0.947818D+00
                16            17            18            19            20 
      1   0.135238D+02 -0.305709D+01  0.530710D+01 -0.368264D+02  0.209452D+01
      2  -0.305709D+01  0.183325D+01  0.540129D+00  0.209452D+01 -0.216492D+01
      3   0.530710D+01  0.540129D+00 -0.237991D+01 -0.175426D+00  0.950834D+00
                21            22            23            24            25 
      1  -0.175426D+00  0.875023D+01 -0.225932D+01  0.223233D+01 -0.497803D+01
      2   0.950834D+00 -0.225932D+01 -0.219211D+01 -0.166521D+01  0.219827D+01
      3  -0.282872D+01  0.223233D+01 -0.166521D+01  0.180153D+01 -0.665998D+01
                26            27            28            29            30 
      1   0.219827D+01 -0.665998D+01  0.547240D+02 -0.508019D+00 -0.322881D+01
      2  -0.218266D+01  0.132312D+01 -0.508019D+00  0.182669D+01 -0.596035D+00
      3   0.132312D+01  0.485920D+01 -0.322881D+01 -0.596035D+00  0.222540D+01
                31            32            33            34            35 
      1  -0.129329D+02  0.199322D+01  0.553525D-01 -0.130709D+02 -0.161097D+01
      2   0.199322D+01  0.263021D+01  0.137117D+01 -0.161097D+01  0.932562D+00
      3   0.553525D-01  0.137117D+01 -0.889915D+00  0.666961D+01 -0.332673D+00
                36            37            38            39            40 
      1   0.666961D+01 -0.505668D+02 -0.265992D+01  0.330994D+01  0.123709D+02
      2  -0.332673D+00 -0.265992D+01 -0.113656D+01  0.821846D+00 -0.368857D+01
      3  -0.420911D+01  0.330994D+01  0.821846D+00 -0.152016D+01 -0.621883D+00
                41            42            43            44            45 
      1  -0.368857D+01 -0.621883D+00  0.145079D+02  0.144294D+01 -0.522892D+01
      2  -0.216380D+01 -0.128028D+01  0.144294D+01 -0.140017D+01  0.895527D+00
      3  -0.128028D+01  0.172271D+01 -0.522892D+01  0.895527D+00  0.231260D+01
                46            47            48            49            50 
      1   0.186059D+02  0.347437D+01 -0.133269D+01  0.235296D+02  0.859816D+01
      2   0.347437D+01 -0.138301D+00  0.150019D+00  0.859816D+01  0.629897D+01
      3  -0.133269D+01  0.150019D+00 -0.560374D+00  0.354524D-01  0.383309D+00
                51            52            53            54            55 
      1   0.354524D-01  0.243637D+01  0.194453D+01 -0.693435D+00 -0.676332D+01
      2   0.383309D+00  0.194453D+01  0.121941D+01  0.647053D+00 -0.330658D+01
      3  -0.144517D+00 -0.693435D+00  0.647053D+00  0.696229D+00 -0.421827D+00
                56            57            58            59            60 
      1  -0.330658D+01 -0.421827D+00 -0.248315D+02 -0.992990D+01  0.491628D+00
      2  -0.156234D+01 -0.469679D+00 -0.992990D+01 -0.113562D+02 -0.676946D+00
      3  -0.469679D+00 -0.481736D+00  0.491628D+00 -0.676946D+00 -0.166963D+01
                61            62            63            64            65 
      1  -0.586381D+01 -0.207920D+01 -0.173676D+01 -0.585593D+01  0.186438D+01
      2  -0.207920D+01 -0.118380D+01 -0.277123D+01  0.186438D+01  0.310562D+01
      3  -0.173676D+01 -0.277123D+01 -0.130923D+01 -0.238504D+01  0.261583D+01
                66            67            68            69            70 
      1  -0.238504D+01  0.157133D+01  0.240327D+01  0.278169D+01 -0.422963D+01
      2   0.261583D+01  0.240327D+01  0.344618D+01 -0.166833D+00  0.278978D+01
      3  -0.282609D+01  0.278169D+01 -0.166833D+00 -0.169044D+01 -0.379428D+01
                71            72            73            74            75 
      1   0.278978D+01 -0.379428D+01 -0.230500D+01 -0.223560D+01  0.163192D+01
      2  -0.560549D+00 -0.890953D+00 -0.223560D+01  0.189626D+01 -0.677822D+00
      3  -0.890953D+00  0.407254D+01  0.163192D+01 -0.677822D+00 -0.271605D+01
                76            77            78            79            80 
      1  -0.330883D+01  0.247153D+01 -0.158358D+01 -0.271437D+00 -0.122677D+01
      2   0.247153D+01  0.586867D+01 -0.330150D+00 -0.122677D+01 -0.913119D+00
      3  -0.158358D+01 -0.330150D+00 -0.158592D+01 -0.458960D+01 -0.217245D+01
                81            82            83            84            85 
      1  -0.458960D+01 -0.340421D+01  0.201175D+01 -0.232581D+01  0.252085D+01
      2  -0.217245D+01  0.201175D+01  0.180560D+01  0.156525D+01  0.232574D+01
      3  -0.137195D+01 -0.232581D+01  0.156525D+01  0.907374D+00  0.125203D+01
                86            87            88            89            90 
      1   0.232574D+01  0.125203D+01 -0.241250D+01  0.180087D+01  0.128652D+01
      2  -0.777476D+00  0.289840D+01  0.180087D+01  0.398205D+01 -0.232084D+01
      3   0.289840D+01 -0.201576D+01  0.128652D+01 -0.232084D+01 -0.528594D+00
                91            92            93            94            95 
      1   0.250657D+01  0.445111D+01  0.734666D+00  0.720222D+01  0.272072D+01
      2   0.445111D+01  0.659719D+00 -0.157497D+01  0.272072D+01 -0.389458D+01
      3   0.734666D+00 -0.157497D+01 -0.118305D+01 -0.158276D+01  0.777276D+00
                96            97            98            99           100 
      1  -0.158276D+01  0.155967D+01 -0.161385D+01  0.306093D-01  0.635306D+01
      2   0.777276D+00 -0.161385D+01  0.129874D+01 -0.368033D+01  0.178317D+01
      3  -0.299481D+01  0.306093D-01 -0.368033D+01 -0.318957D+01 -0.259230D+01
               101           102           103           104           105 
      1   0.178317D+01 -0.259230D+01  0.675978D+00  0.940165D+00 -0.263746D+00
      2   0.143969D+01 -0.550609D+00  0.940165D+00  0.334269D+00 -0.594127D+00
      3  -0.550609D+00  0.213725D+01 -0.263746D+00 -0.594127D+00  0.486659D+00
               106           107           108           109           110 
      1  -0.465908D+01 -0.907823D+00  0.288246D+01  0.264457D+01  0.149084D+01
      2  -0.907823D+00 -0.147029D+01  0.112050D+01  0.149084D+01  0.796326D+00
      3   0.288246D+01  0.112050D+01 -0.258039D+01  0.168699D+01  0.797970D+00
               111           112           113           114           115 
      1   0.168699D+01  0.796706D+00  0.120931D+01  0.953392D+00  0.411811D+01
      2   0.797970D+00  0.120931D+01  0.137619D+01  0.139902D+01  0.192736D+01
      3   0.188468D+01  0.953392D+00  0.139902D+01  0.137400D+01  0.381939D+01
               116           117           118           119           120 
      1   0.192736D+01  0.381939D+01  0.569893D+01 -0.721917D+00 -0.178493D+01
      2   0.250112D+01  0.219542D+01 -0.721917D+00  0.529801D+00 -0.100750D-01
      3   0.219542D+01  0.525449D+01 -0.178493D+01 -0.100750D-01  0.184289D+01
               121           122           123           124           125 
      1  -0.444172D+01  0.836671D+00  0.161064D-01 -0.360330D+01 -0.257751D+00
      2   0.836671D+00 -0.670954D-01 -0.958526D+00 -0.257751D+00 -0.122178D+01
      3   0.161064D-01 -0.958526D+00 -0.976969D+00  0.345741D+01 -0.744197D+00
               126           127           128           129           130 
      1   0.345741D+01 -0.148043D+01  0.414533D+00  0.116109D+01  0.530180D+00
      2  -0.744197D+00  0.414533D+00 -0.167183D+01 -0.810292D+00 -0.956727D+00
      3  -0.831811D+01  0.116109D+01 -0.810292D+00 -0.134318D+01 -0.533606D+00
               131           132           133           134           135 
      1  -0.956727D+00 -0.533606D+00  0.197638D+01 -0.756395D+00 -0.985911D+00
      2   0.200361D+01  0.782781D+00 -0.756395D+00  0.186118D+01  0.163199D+01
      3   0.782781D+00  0.108448D+01 -0.985911D+00  0.163199D+01  0.287160D+01
               136           137           138           139           140 
      1   0.695884D+00  0.990576D+00 -0.395985D+00  0.365059D+00  0.148038D+00
      2   0.990576D+00 -0.689185D-01 -0.970937D-01  0.148038D+00  0.703993D+01
      3  -0.395985D+00 -0.970937D-01 -0.107135D+00 -0.151949D+00 -0.327120D+01
               141           142           143           144           145 
      1  -0.151949D+00 -0.938446D+00 -0.324446D+00 -0.221592D+00 -0.204494D+01
      2  -0.327120D+01 -0.324446D+00 -0.468264D+01  0.327815D+01 -0.160628D+01
      3   0.234523D+01 -0.221592D+00  0.327815D+01 -0.310591D+01  0.507263D+00
               146           147           148           149           150 
      1  -0.160628D+01  0.507263D+00 -0.154267D+01 -0.203715D+01  0.166843D+00
      2  -0.267631D+01  0.476725D+00 -0.203715D+01 -0.563611D+01  0.137223D+01
      3   0.476725D+00 -0.743434D+00  0.166843D+00  0.137223D+01 -0.148803D+01
               151           152           153           154           155 
      1  -0.341855D+00 -0.356516D-01 -0.257812D+00 -0.220141D+01  0.944495D+00
      2  -0.356516D-01  0.314257D-01 -0.563468D+00  0.944495D+00 -0.155130D+01
      3  -0.257812D+00 -0.563468D+00  0.150878D+00  0.128310D+01 -0.682890D+00
               156           157           158           159           160 
      1   0.128310D+01  0.146057D+01 -0.139002D+01 -0.853379D+00  0.999745D+00
      2  -0.682890D+00 -0.139002D+01  0.218909D+01  0.111012D+01 -0.711344D+00
      3  -0.168853D+01 -0.853379D+00  0.111012D+01  0.246133D+01 -0.944778D+00
               161           162           163           164           165 
      1  -0.711344D+00 -0.944778D+00  0.530044D+01 -0.138713D+01  0.362315D+01
      2   0.102247D+01  0.117945D+01 -0.138713D+01  0.117785D+01 -0.137801D+01
      3   0.117945D+01  0.240588D+01  0.362315D+01 -0.137801D+01  0.431592D+01
               166           167           168           169           170 
      1  -0.493933D+00  0.674709D+00 -0.728768D+00  0.239157D+01 -0.100655D+01
      2   0.674709D+00 -0.108251D+01  0.117168D+01 -0.100655D+01  0.101837D+01
      3  -0.728768D+00  0.117168D+01 -0.682397D+00  0.309414D+01 -0.113147D+01
               171           172           173           174           175 
      1   0.309414D+01  0.240550D+01 -0.145526D+00 -0.162328D+01  0.105663D+01
      2  -0.113147D+01 -0.145526D+00  0.896255D-01 -0.223965D+00 -0.567771D-01
      3   0.444930D+01 -0.162328D+01 -0.223965D+00  0.214681D+01 -0.848837D+00
               176           177           178           179           180 
      1  -0.567771D-01 -0.848837D+00 -0.250395D+01  0.112248D+00  0.321331D+01
      2   0.484139D+00 -0.780624D+00  0.112248D+00 -0.139989D+01  0.119635D-01
      3  -0.780624D+00  0.148749D+01  0.321331D+01  0.119635D-01 -0.669775D+01
               181           182           183           184           185 
      1  -0.111580D+01 -0.105571D+01  0.894366D-01 -0.153572D+01 -0.626365D+00
      2  -0.105571D+01 -0.334247D+01 -0.800058D+00 -0.626365D+00 -0.773558D+01
      3   0.894366D-01 -0.800058D+00 -0.609514D+00 -0.227220D+00 -0.121868D+01
               186           187           188           189           190 
      1  -0.227220D+00  0.355492D+00 -0.424069D+00  0.155071D+00  0.794428D+01
      2  -0.121868D+01 -0.424069D+00 -0.736693D+00 -0.101871D+01 -0.304838D+01
      3  -0.113224D+01  0.155071D+00 -0.101871D+01 -0.856749D+00  0.204429D+01
               191           192           193           194           195 
      1  -0.304838D+01  0.204429D+01 -0.142735D+01  0.159378D+01 -0.748678D+00
      2   0.179824D+01 -0.833497D+00  0.159378D+01 -0.179791D+01  0.584237D+00
      3  -0.833497D+00  0.189830D+01 -0.748678D+00  0.584237D+00 -0.272673D+00
               196           197           198           199           200 
      1   0.482113D+01 -0.198980D+01  0.226791D+01  0.319370D+00 -0.862213D+00
      2  -0.198980D+01  0.178256D+01 -0.735346D+00 -0.862213D+00 -0.428259D+00
      3   0.226791D+01 -0.735346D+00  0.165633D+01 -0.624717D+00 -0.119206D+00
               201           202           203           204           205 
      1  -0.624717D+00 -0.194149D+01 -0.163310D-01  0.284201D+00 -0.199655D+01
      2  -0.119206D+00 -0.163310D-01 -0.562223D+01 -0.164159D+01  0.388519D+00
      3  -0.494753D-01  0.284201D+00 -0.164159D+01 -0.155051D+01 -0.832898D+00
               206           207           208           209           210 
      1   0.388519D+00 -0.832898D+00 -0.849239D+00  0.124464D+01  0.562760D+00
      2  -0.123892D+01 -0.109842D+01  0.124464D+01  0.239304D+00 -0.117154D+00
      3  -0.109842D+01 -0.709305D+00  0.562760D+00 -0.117154D+00 -0.150025D+00
               211           212           213           214           215 
      1   0.218432D+01 -0.391372D+00 -0.320102D+00  0.818211D+00 -0.499210D+00
      2  -0.391372D+00  0.583038D+01  0.112550D+01 -0.499210D+00  0.134579D+01
      3  -0.320102D+00  0.112550D+01  0.959079D+00  0.352406D+00  0.575763D+00
               216           217           218           219           220 
      1   0.352406D+00 -0.249888D+01  0.522918D+00 -0.764916D+00  0.311982D+01
      2   0.575763D+00  0.522918D+00 -0.655007D+00  0.563103D+00 -0.296850D+01
      3   0.186169D+00 -0.764916D+00  0.563103D+00 -0.242799D+00  0.399985D+00
               221           222           223           224           225 
      1  -0.296850D+01  0.399985D+00 -0.245066D+01  0.160156D+01 -0.105003D+01
      2   0.603691D+01 -0.171661D+01  0.160156D+01 -0.297517D+01  0.225836D+01
      3  -0.171661D+01  0.226730D+01 -0.105003D+01  0.225836D+01 -0.186878D+01
               226           227           228           229           230 
      1  -0.543891D+00 -0.388369D+00  0.601611D+00  0.116519D+01 -0.119142D+01
      2  -0.388369D+00  0.532408D+00  0.598855D+00 -0.119142D+01  0.258751D+01
      3   0.601611D+00  0.598855D+00  0.942439D+00 -0.332203D+00  0.169712D+01
               231           232           233           234           235 
      1  -0.332203D+00  0.296519D+01 -0.592601D+00 -0.135974D+01 -0.945399D+01
      2   0.169712D+01 -0.592601D+00  0.212918D+01  0.283484D+01 -0.199920D+01
      3   0.229797D+01 -0.135974D+01  0.283484D+01  0.679483D+01  0.771705D+00
               236           237           238           239           240 
      1  -0.199920D+01  0.771705D+00 -0.474223D+01 -0.183274D+01  0.639236D+00
      2  -0.150671D+01  0.308955D+00 -0.183274D+01 -0.141057D+01  0.906101D-01
      3   0.308955D+00 -0.116591D+01  0.639236D+00  0.906101D-01 -0.619750D+00
               241           242           243 
      1   0.264794D+00  0.293704D+00 -0.115000D+01
      2   0.293704D+00 -0.706352D-01 -0.480447D-01
      3  -0.115000D+01 -0.480447D-01  0.576849D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.243702D+01  0.103622D+02  0.170495D+01  0.103993D+02  0.367400D+01
      2  -0.713244D+01  0.720956D+00  0.463997D+01  0.233521D+01 -0.105091D+02
      3  -0.105951D+01 -0.980874D+01  0.732718D+00 -0.518010D+01 -0.775768D+01
                 6             7             8             9            10 
      1  -0.755887D+01  0.213700D+01 -0.139621D+01 -0.316947D+01  0.616020D+01
      2  -0.704323D+01 -0.153661D+01 -0.607354D+01  0.668865D+01  0.255046D+02
      3  -0.303298D+00 -0.147977D+01 -0.557807D+00  0.424126D+01  0.455319D+01
                11            12            13            14            15 
      1  -0.483672D+01  0.194362D+01 -0.337478D+01 -0.565422D-01 -0.361681D+01
      2  -0.695994D+01  0.120501D+02 -0.155549D+02  0.489695D+01  0.236004D+01
      3   0.467282D+01  0.215891D+01  0.107121D+02  0.146453D+02 -0.129223D+01
                16            17            18            19            20 
      1   0.869250D+00  0.577207D+01 -0.948479D+00 -0.744911D+01  0.316070D+01
      2   0.141294D+02  0.204636D+01 -0.279604D+01 -0.273221D+02  0.377626D+01
      3   0.442496D+01 -0.163359D+00 -0.343131D+01 -0.617508D+01 -0.444957D+01
                21            22            23            24            25 
      1  -0.239297D+01  0.189934D+01  0.564287D+01 -0.109150D+01 -0.166777D+01
      2   0.650528D+00  0.121208D+02 -0.402792D+01  0.430478D+01 -0.190430D+02
      3   0.603060D+00  0.934507D+01 -0.929201D+00  0.104209D+01  0.810012D+00
                26            27            28            29            30 
      1   0.411651D+01 -0.302703D+01  0.702703D+01 -0.901762D+00  0.159508D+01
      2   0.306822D+01 -0.329802D+01  0.315118D+02 -0.948618D-03 -0.676884D+01
      3   0.102693D+01 -0.131031D+01  0.129629D+02  0.329042D+01 -0.262101D+01
                31            32            33            34            35 
      1   0.164172D+01 -0.331754D+01 -0.597163D+00 -0.223887D+01  0.260679D+01
      2  -0.681021D+01  0.133746D+01  0.603064D-01 -0.386722D+02 -0.507085D+00
      3   0.108726D+02  0.102556D+01 -0.522397D+00 -0.770663D+01 -0.184933D+01
                36            37            38            39            40 
      1   0.275724D+01 -0.241495D+01  0.113966D+00 -0.868607D-01  0.295723D+01
      2   0.811106D+01 -0.304942D+02 -0.219317D+01  0.103554D+02  0.689207D+01
      3   0.175664D+01 -0.231443D+02 -0.117080D+02  0.269974D+01  0.100987D+02
                41            42            43            44            45 
      1  -0.826824D+00 -0.336716D-01  0.824232D+01  0.475621D+01 -0.114526D+01
      2  -0.255169D+00 -0.634971D+00  0.160868D+02 -0.158931D+01 -0.834632D+01
      3  -0.464213D+01 -0.329196D+01  0.771226D+01 -0.780467D+00 -0.288647D+00
                46            47            48            49            50 
      1  -0.786680D+00  0.254649D+01 -0.172090D+01  0.311656D+01 -0.183715D+01
      2   0.529499D+01  0.489773D+01 -0.115836D+02  0.117526D+02  0.126433D+01
      3   0.627413D+01  0.380814D+01 -0.203564D+01  0.394215D+02  0.267683D+02
                51            52            53            54            55 
      1   0.431916D+01  0.442655D+01  0.762153D+01  0.350191D+01  0.200340D+01
      2  -0.760129D+01 -0.230383D+02 -0.954453D+00  0.387087D+01 -0.853400D+00
      3  -0.116489D+01  0.298108D+00  0.386757D+01  0.190404D+01 -0.321013D+01
                56            57            58            59            60 
      1  -0.336398D+00 -0.261974D+00 -0.707631D+00  0.345243D+00 -0.939278D+01
      2  -0.269132D+00  0.747165D+01 -0.110754D+02 -0.874583D+00  0.122125D+02
      3  -0.863225D+01 -0.142477D+01 -0.224581D+02 -0.424546D+02 -0.204301D+01
                61            62            63            64            65 
      1   0.573656D-01  0.109135D+01 -0.221589D+01 -0.501273D+01  0.349510D+01
      2   0.562750D+01  0.675328D+01  0.290593D+01 -0.103093D+02  0.101464D+02
      3  -0.444247D+01 -0.552607D+01 -0.775789D+01  0.180453D+01 -0.169079D+02
                66            67            68            69            70 
      1  -0.709683D+01  0.352620D+01 -0.294413D+01 -0.427076D+01 -0.994315D+01
      2  -0.895703D+01  0.909409D+01  0.616450D+00 -0.343233D+01 -0.168379D+02
      3  -0.550784D+01 -0.615236D+01 -0.186630D+02 -0.433668D+01 -0.442709D+01
                71            72            73            74            75 
      1   0.152545D+01  0.811905D+01 -0.401747D+01  0.319137D+01  0.373330D+01
      2  -0.253990D+00  0.111241D+02  0.217087D+01 -0.127836D+01 -0.828713D+01
      3  -0.432151D+01  0.901307D+01  0.801809D+01 -0.148640D+02  0.723006D+01
                76            77            78            79            80 
      1   0.205024D+01  0.326008D+01  0.388125D+00  0.757868D+01  0.621064D+01
      2  -0.461585D+01 -0.173116D+01 -0.566859D+01 -0.209675D+02 -0.824662D+01
      3  -0.795182D+01 -0.156357D+02 -0.410134D-02  0.782193D+01 -0.942927D+00
                81            82            83            84            85 
      1   0.187021D+01  0.502443D+01 -0.572069D+01 -0.256564D+01 -0.822695D+01
      2  -0.546947D+01 -0.451305D+01  0.250817D+01  0.252815D+01  0.505570D+01
      3   0.178231D+01 -0.116713D+02 -0.685547D+00 -0.849414D+01  0.721933D+01
                86            87            88            89            90 
      1  -0.987257D+01  0.814241D+00 -0.197215D+01  0.796838D+01  0.136112D+01
      2   0.393102D+01 -0.113576D+01 -0.179905D+01 -0.788046D-01 -0.305037D+00
      3   0.493698D+01  0.945356D+00 -0.115585D+02  0.303967D+00  0.599354D+01
                91            92            93            94            95 
      1   0.772287D+00  0.140994D+01  0.228230D+01  0.422195D+01 -0.326178D+01
      2  -0.463672D+01  0.527090D+01  0.109891D+02  0.672342D+01 -0.502674D+01
      3   0.191299D+02  0.238252D+01 -0.576725D+01  0.189269D+02 -0.140780D+02
                96            97            98            99           100 
      1   0.854735D+00 -0.593358D+01  0.838321D+01  0.166063D+01  0.362274D+01
      2   0.118816D+02 -0.930715D+01  0.203553D+02  0.149626D+02 -0.783685D+01
      3   0.186688D+01 -0.563957D+01  0.521406D+01 -0.162167D+02  0.371842D+01
               101           102           103           104           105 
      1  -0.210301D+00 -0.346398D+01  0.397893D+00  0.627704D+00 -0.158088D+01
      2  -0.146711D+01  0.893776D+01 -0.117732D+01 -0.167432D+01  0.176860D+01
      3  -0.393217D+01 -0.196741D+01 -0.221371D-01  0.693340D+00  0.150419D+01
               106           107           108           109           110 
      1  -0.369453D+01  0.183800D+00  0.395156D+01 -0.191035D+01 -0.170596D+00
      2   0.669054D+01  0.299686D+01 -0.872800D+01  0.292274D+01  0.214846D+01
      3  -0.363379D+01  0.484026D+01  0.500884D+00  0.169522D+00 -0.192096D+01
               111           112           113           114           115 
      1  -0.287400D+01 -0.147035D+01 -0.118626D+01 -0.261536D+01 -0.454927D+01
      2   0.688194D+01  0.159641D+01  0.438099D+01  0.455340D+01  0.880945D+01
      3  -0.266635D+00 -0.128351D+00 -0.268217D+01 -0.272618D+01 -0.215468D+00
               116           117           118           119           120 
      1   0.670117D+00 -0.776551D+01  0.770883D+00 -0.142676D+01 -0.415121D+00
      2   0.639192D+01  0.167711D+02  0.422180D+01 -0.111506D+01  0.115375D+01
      3  -0.679182D+01 -0.174221D+01  0.149755D+01 -0.161308D+01 -0.632009D+00
               121           122           123           124           125 
      1  -0.268315D+01 -0.108464D-01  0.547820D+00  0.932605D+00  0.393582D+01
      2  -0.475653D+01  0.473414D+00 -0.727830D+00 -0.335771D+01 -0.811098D+00
      3   0.105109D+01 -0.163184D+00  0.561048D+00 -0.803435D+00  0.157232D+01
               126           127           128           129           130 
      1   0.295524D+01 -0.310224D+01  0.181289D+01  0.401585D+01  0.167901D+01
      2  -0.440342D+01  0.236775D+01 -0.847588D+00 -0.420368D+00 -0.105523D+01
      3   0.113945D+01 -0.643823D+01  0.184685D+01  0.478867D+01  0.387596D+01
               131           132           133           134           135 
      1  -0.176821D+01 -0.352178D+01  0.293244D+01 -0.194571D+01 -0.831745D+01
      2   0.912077D+00  0.904100D+00 -0.323374D+01  0.179069D+01  0.248498D+01
      3  -0.505062D+01 -0.257233D+01  0.780741D+01 -0.396315D+01 -0.583450D+01
               136           137           138           139           140 
      1   0.213599D+00  0.479834D+00  0.491282D+00 -0.334976D+00  0.341433D+01
      2   0.638089D-01  0.245312D+00  0.399051D+00  0.898752D+00 -0.309147D+01
      3  -0.122390D+01  0.113239D+01 -0.467591D+00  0.459517D+01 -0.989276D+01
               141           142           143           144           145 
      1  -0.633185D+01  0.721075D+00 -0.357426D+01  0.666542D+01 -0.338985D+01
      2   0.229837D+01 -0.226411D+01  0.325227D+01 -0.330653D+01  0.627069D+01
      3   0.441605D+01 -0.252096D+01  0.563910D+01 -0.537724D+01  0.723326D+01
               146           147           148           149           150 
      1  -0.534034D+01 -0.127662D+01 -0.447751D+01 -0.928590D+01 -0.184704D+01
      2   0.431642D+01 -0.110233D+01  0.500193D+01  0.739843D+01 -0.183356D+01
      3   0.519423D+01 -0.115498D+01  0.809721D+01  0.107717D+02 -0.259252D+01
               151           152           153           154           155 
      1  -0.101517D+01  0.692078D+00 -0.139437D+01  0.403919D+01 -0.545034D+01
      2  -0.134972D+01 -0.763163D+00  0.636363D+00  0.943899D+01 -0.404522D+01
      3   0.110085D+01  0.215653D+00  0.141198D+01 -0.346032D+00  0.226047D+00
               156           157           158           159           160 
      1  -0.207815D+01 -0.451727D+01  0.751729D+01  0.216999D+01 -0.219799D+01
      2  -0.378181D+01 -0.624118D+01  0.565950D+01  0.533731D+01 -0.513637D+01
      3  -0.172894D+00  0.244537D+01 -0.103798D+01 -0.797283D+00  0.338952D+00
               161           162           163           164           165 
      1   0.433429D+01  0.377718D+01  0.105037D+01  0.195928D+01  0.215245D+01
      2   0.364092D+01  0.549720D+01 -0.333225D+01 -0.590931D+00  0.416066D+01
      3  -0.129654D+00 -0.103218D+01 -0.194820D+01 -0.282080D+01 -0.148628D+00
               166           167           168           169           170 
      1   0.264833D+00 -0.962727D+00  0.203182D+00  0.116884D+01  0.261890D+01
      2   0.750980D+00  0.141607D+01  0.141794D+00 -0.293288D+01 -0.303619D-01
      3   0.300862D+00  0.180366D+01 -0.133197D+01 -0.168590D+01 -0.176773D+01
               171           172           173           174           175 
      1   0.276141D+01 -0.255487D+01 -0.118763D+01  0.394089D+01 -0.852320D+00
      2   0.335636D+01 -0.309284D+01 -0.702861D+00  0.684754D+01 -0.112268D+01
      3  -0.761498D+00 -0.267212D+01 -0.113057D+01  0.320627D+01 -0.326042D-01
               176           177           178           179           180 
      1  -0.241481D+01  0.196901D+01  0.473937D+01  0.425556D+01 -0.108599D+02
      2  -0.251354D+01  0.439549D+01  0.547444D+01  0.648185D+00 -0.194052D+02
      3  -0.199361D+01  0.341482D+01  0.336729D+01  0.565507D+01 -0.485666D+01
               181           182           183           184           185 
      1   0.856467D+00  0.426427D+00 -0.167986D+01  0.306274D+00  0.235311D+01
      2  -0.106526D+01 -0.290346D+01 -0.655789D+00 -0.205571D+01 -0.435012D+01
      3   0.780658D+01  0.117391D+02  0.226184D+01  0.795624D+01  0.263323D+02
               186           187           188           189           190 
      1  -0.378061D+01  0.253306D+00 -0.136554D-01 -0.127577D+01  0.520614D+01
      2  -0.293867D+01 -0.438541D+00 -0.301204D+01 -0.222982D+01  0.988145D+01
      3   0.447077D+01  0.152152D+01  0.349013D+01  0.300156D+01 -0.359726D+01
               191           192           193           194           195 
      1  -0.188886D+01  0.457814D+01 -0.226201D+01  0.164003D+01 -0.177273D+01
      2  -0.429584D+01  0.995853D+01 -0.359451D+01  0.282516D+01 -0.183712D+01
      3  -0.362091D+01 -0.628716D+00 -0.537069D+00  0.396797D+01 -0.517518D+00
               196           197           198           199           200 
      1   0.421027D+01 -0.450840D+00  0.353946D+01 -0.844291D+00  0.645437D+00
      2   0.805537D+01 -0.289681D+01  0.768976D+01  0.554450D+00 -0.644309D+00
      3  -0.476853D+00 -0.380897D+01 -0.114854D+01  0.139794D+01  0.103083D+00
               201           202           203           204           205 
      1  -0.637146D+00  0.110998D+01  0.532195D+01 -0.250598D+01 -0.574345D+01
      2  -0.517390D-01 -0.228378D+01 -0.427733D+00  0.149815D+01 -0.158330D+01
      3  -0.433647D-01  0.433937D+01 -0.310109D+01  0.236576D+00  0.145285D+01
               206           207           208           209           210 
      1   0.114860D+01  0.408835D+00 -0.166234D+01  0.122218D+00  0.183608D+00
      2   0.105546D+01 -0.523298D-01 -0.364876D+01  0.227625D+00  0.551337D+00
      3  -0.140344D+00 -0.137473D+01  0.332148D+01  0.160320D+01  0.165606D+00
               211           212           213           214           215 
      1   0.157166D+01 -0.842060D+00 -0.381963D+01 -0.579103D+01  0.295086D+00
      2   0.223668D+01 -0.291428D+01 -0.249764D+01 -0.886340D+01 -0.150613D+01
      3   0.439564D+01  0.109678D+02  0.216013D+01  0.111854D+01  0.223371D+01
               216           217           218           219           220 
      1   0.654718D-01  0.289302D+00 -0.821491D+00  0.628181D+00 -0.238976D+01
      2   0.517205D+00  0.146004D+01 -0.222972D+01  0.258888D+01 -0.354784D+01
      3   0.118245D+01  0.449359D+00 -0.326917D+01  0.166224D+01 -0.785661D+01
               221           222           223           224           225 
      1   0.453602D+01 -0.433619D+01  0.241198D+01 -0.265156D+01  0.328511D+01
      2   0.950308D+01 -0.968187D+01  0.666396D+01 -0.109962D+02  0.800723D+01
      3   0.231436D+02 -0.713589D+01  0.422819D+01 -0.118021D+02  0.885533D+01
               226           227           228           229           230 
      1   0.292013D+00 -0.217242D+00 -0.972528D+00  0.684466D-02 -0.284692D-01
      2  -0.574262D+00 -0.335147D+01 -0.466993D+01  0.249302D+00 -0.748773D+01
      3  -0.562554D+00  0.828183D+00  0.285628D+01 -0.256589D+01  0.941642D+01
               231           232           233           234           235 
      1  -0.225567D+01  0.153838D+01  0.700089D-01 -0.512949D+01 -0.174612D+01
      2  -0.988969D+01  0.392409D+01 -0.130043D+02 -0.296672D+02  0.411978D+00
      3   0.675242D+01  0.943245D+00  0.837423D+01  0.109483D+02 -0.147358D+02
               236           237           238           239           240 
      1  -0.121671D+01  0.272936D+00 -0.111677D+01 -0.809269D+00 -0.742659D+00
      2  -0.270696D+00  0.651988D+01 -0.816802D+00  0.268925D+00  0.320611D+01
      3  -0.102875D+02  0.187552D+01 -0.840605D+01 -0.794398D+01  0.526102D+00
               241           242           243 
      1   0.975169D+00  0.600074D+00 -0.339340D+00
      2   0.253799D+01  0.277228D+00 -0.188031D+01
      3   0.164435D+01  0.112250D+00 -0.598344D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.512291D+01  0.479442D+01 -0.779190D+01  0.232252D+01  0.187611D+02
      2   0.694225D+01 -0.176598D+02  0.115920D+02 -0.139748D+02 -0.119580D+02
      3  -0.120652D+02  0.128654D+02 -0.380006D+01  0.116523D+02 -0.680314D+01
      4   0.712315D+01  0.786142D+01  0.121476D+02  0.960650D+01 -0.874290D+00
      5  -0.206657D+02  0.114161D+02 -0.248890D+02  0.108690D+02  0.407291D+01
      6   0.655044D+01  0.683916D+01  0.116295D+02  0.738179D+01  0.622437D+01
                 6             7             8             9            10 
      1   0.950378D+01 -0.528892D+01  0.121882D+02 -0.180925D+02 -0.119625D+01
      2   0.274311D+00  0.912814D+01 -0.199560D+01  0.930895D+01 -0.213310D+01
      3  -0.977809D+01 -0.383922D+01 -0.101926D+02  0.878356D+01  0.332935D+01
      4  -0.605091D+01  0.144148D+02 -0.621177D+01  0.270620D+01 -0.179307D+02
      5   0.105502D+01 -0.240381D+02  0.491375D+01 -0.792318D+01  0.909136D+01
      6  -0.243182D+01  0.109491D+02 -0.159132D+01 -0.630218D+01 -0.785164D+01
                11            12            13            14            15 
      1  -0.648745D+01  0.155924D+01  0.219545D+01 -0.226648D+02 -0.905804D+01
      2   0.946773D+01 -0.136841D+01  0.388701D+00  0.100006D+02  0.190893D+01
      3  -0.298029D+01 -0.190832D+00 -0.258415D+01  0.126642D+02  0.714911D+01
      4  -0.131213D+02 -0.120985D+02 -0.148746D+02 -0.211416D+02  0.570669D+01
      5  -0.105923D+02  0.133279D+02 -0.114711D+02  0.946793D+00  0.607814D+01
      6   0.656609D+01 -0.210632D+01  0.221813D+01 -0.939104D+01 -0.123857D+01
                16            17            18            19            20 
      1   0.289743D+01 -0.146967D+02  0.140396D+02  0.311427D+02  0.104315D+02
      2   0.424468D+01  0.534824D+01 -0.100092D+02 -0.125099D+02 -0.100689D+02
      3  -0.714212D+01  0.934842D+01 -0.403040D+01 -0.186328D+02 -0.362576D+00
      4  -0.204033D+02  0.113181D+02  0.150994D+01  0.229660D+02 -0.463369D+01
      5   0.203526D+02  0.213162D+01 -0.886813D+01  0.111867D+02  0.267415D+01
      6  -0.277583D+01 -0.720763D+00  0.757171D+01  0.823754D+01  0.116971D+01
                21            22            23            24            25 
      1  -0.441440D+01  0.370825D+01  0.267087D+01  0.315683D+01 -0.196267D+02
      2  -0.260499D+01 -0.410913D+01 -0.687721D+01 -0.118711D+01 -0.687378D+01
      3   0.701940D+01  0.400880D+00  0.420634D+01 -0.196972D+01  0.265004D+02
      4   0.448319D+01 -0.672868D+01 -0.308725D+01 -0.483919D+01  0.118694D+02
      5  -0.620402D+01  0.509799D+01 -0.113425D+01  0.323374D+01 -0.174898D+02
      6  -0.190657D+00  0.150401D+01  0.375550D+01  0.298657D+01 -0.234657D+01
                26            27            28            29            30 
      1   0.708380D+01  0.103743D+02 -0.110633D+03 -0.201480D+01  0.777871D+01
      2  -0.528577D+01  0.126918D+02  0.427172D+02 -0.930360D+00 -0.258654D+01
      3  -0.179802D+01 -0.230661D+02  0.679155D+02  0.294516D+01 -0.519217D+01
      4  -0.882624D+01  0.275569D+01 -0.157869D+02 -0.797573D+01  0.176541D+01
      5   0.303750D+01  0.153802D+02 -0.982850D+01  0.156812D+01 -0.794382D+01
      6   0.328342D+01 -0.905910D+00 -0.777347D+01 -0.297854D+01  0.126379D+01
                31            32            33            34            35 
      1   0.389464D+02  0.312805D+01  0.296166D+01  0.367972D+02  0.689803D+01
      2  -0.174420D+02 -0.267460D+01 -0.185883D+01 -0.816125D+01 -0.504920D+01
      3  -0.215044D+02 -0.453449D+00 -0.110282D+01 -0.286360D+02 -0.184883D+01
      4   0.933090D+00 -0.328454D+01 -0.174274D+01  0.302251D+01  0.464824D+01
      5  -0.219608D+01 -0.272638D+01  0.841279D+00 -0.267813D+01 -0.135502D+01
      6  -0.128023D+01 -0.879787D+01 -0.176205D+01 -0.702916D+00  0.328382D+01
                36            37            38            39            40 
      1  -0.272470D+02  0.135577D+03  0.819825D+01 -0.132192D+02 -0.345672D+02
      2  -0.809148D+00 -0.483529D+02 -0.164410D+01  0.360673D+01  0.160009D+02
      3   0.280561D+02 -0.872244D+02 -0.655415D+01  0.961247D+01  0.185663D+02
      4  -0.186064D+01  0.237141D+02  0.194247D+02 -0.361065D+01  0.209421D+02
      5   0.887142D+01  0.540191D+01 -0.967821D+00  0.153853D+02 -0.719148D+00
      6  -0.266001D+01  0.775448D+01  0.264661D+01 -0.334926D+01  0.223628D+01
                41            42            43            44            45 
      1   0.947366D+01  0.701570D+01 -0.344517D+02  0.166926D+00  0.504735D+01
      2  -0.847803D+01 -0.304651D+01  0.151268D+02 -0.219884D+01 -0.679249D+01
      3  -0.995623D+00 -0.396919D+01  0.193249D+02  0.203191D+01  0.174514D+01
      4   0.726305D+01  0.297730D+01 -0.107638D+02  0.155722D+01 -0.280536D+01
      5   0.542753D+01 -0.492796D+01  0.245118D+02 -0.405654D+01 -0.518933D+01
      6  -0.269956D+01  0.391275D+01 -0.100431D+02  0.548611D+01 -0.662650D+00
                46            47            48            49            50 
      1  -0.583926D+02  0.423982D+01  0.422763D+01 -0.471835D+02 -0.184270D+02
      2   0.165050D+02 -0.528445D+01 -0.542291D+01  0.660409D+01 -0.450493D+01
      3   0.418876D+02  0.104463D+01  0.119528D+01  0.405794D+02  0.229320D+02
      4  -0.123120D+02 -0.196183D+02 -0.211962D+01 -0.680124D+02 -0.484869D+02
      5   0.362445D+01 -0.579883D+01 -0.145680D+02 -0.199773D+02 -0.756322D+01
      6  -0.971340D+01  0.181052D+01  0.234380D+01 -0.816042D+01 -0.554987D+01
                51            52            53            54            55 
      1  -0.205312D+01  0.185133D+01 -0.661295D+01 -0.274662D+01  0.347916D+02
      2   0.440539D+01 -0.467858D+01 -0.696418D+00 -0.397006D+01 -0.139616D+02
      3  -0.235227D+01  0.282725D+01  0.730937D+01  0.671668D+01 -0.208300D+02
      4  -0.178374D+01 -0.180251D+02 -0.499510D+01 -0.429361D+01  0.262495D+02
      5  -0.646494D+01  0.125405D+01 -0.499739D+01  0.112331D+01  0.724423D+01
      6  -0.648776D+01  0.803974D+00  0.346982D+01 -0.476541D+01  0.226771D+01
                56            57            58            59            60 
      1   0.132361D+02  0.212135D+01  0.708283D+02  0.361047D+01 -0.449609D+01
      2  -0.329750D+01 -0.243266D+00 -0.171922D+02  0.299528D+02  0.800190D+00
      3  -0.993865D+01 -0.187809D+01 -0.536361D+02 -0.335633D+02  0.369590D+01
      4   0.245973D+02  0.383152D+01  0.737485D+02  0.821681D+02  0.575583D+01
      5   0.509402D+01  0.124928D+02  0.101293D+02  0.119873D+02  0.175655D+02
      6   0.145185D+01  0.227360D+01  0.923207D+01  0.655217D+01  0.147210D+02
                61            62            63            64            65 
      1   0.177667D+02  0.298795D+01 -0.184057D+00 -0.263381D+02  0.233587D+02
      2  -0.645306D+01 -0.594149D+00 -0.829850D-01  0.105889D+02 -0.219970D+02
      3  -0.113136D+02 -0.239380D+01  0.267042D+00  0.157493D+02 -0.136173D+01
      4   0.147126D+02  0.935513D+01  0.197081D+02  0.193728D+02  0.986297D+01
      5   0.212128D+02  0.195701D+02  0.990061D+01 -0.157671D+02  0.158770D+02
      6   0.950571D+01  0.135230D+02  0.609210D+01  0.103162D+02 -0.131741D+02
                66            67            68            69            70 
      1  -0.119450D+02  0.159003D+02  0.292215D+02  0.183704D+02 -0.189563D+02
      2  -0.384071D+01 -0.134795D+02 -0.256529D+02 -0.124703D+02 -0.289113D+01
      3   0.157857D+02 -0.242076D+01 -0.356854D+01 -0.590001D+01  0.218474D+02
      4   0.201636D+02  0.104421D+02  0.510287D+01 -0.725382D+01  0.257110D+02
      5  -0.180863D+02  0.173992D+02 -0.538382D+01 -0.110060D+02 -0.241786D+02
      6   0.555329D+01 -0.105508D+02 -0.170968D+01  0.314018D+01  0.743633D+01
                71            72            73            74            75 
      1   0.209917D+02 -0.230567D+02  0.151147D+01 -0.139392D+02  0.208519D+02
      2  -0.121777D+02  0.231323D+02 -0.222474D+01  0.104835D+02 -0.120834D+02
      3  -0.881405D+01 -0.756104D-01  0.713274D+00  0.345568D+01 -0.876850D+01
      4  -0.107445D+02  0.378291D+00 -0.115116D+02  0.199410D+01  0.357320D+01
      5  -0.575118D+01  0.270223D+02  0.113253D+02 -0.211223D+01 -0.193463D+02
      6   0.328387D+01 -0.520595D+01  0.465654D+01 -0.606367D+01 -0.685634D+01
                76            77            78            79            80 
      1  -0.176183D+02  0.120371D+02 -0.482016D+01  0.228599D+02 -0.353148D+00
      2   0.172460D+02  0.243832D+01  0.417118D+01 -0.131195D+02  0.613758D+00
      3   0.372320D+00 -0.144754D+02  0.648985D+00 -0.974039D+01 -0.260610D+00
      4   0.102393D+02  0.361015D+02 -0.388863D+01 -0.123299D+01 -0.864544D+01
      5  -0.878096D+01  0.187529D+01 -0.119877D+02 -0.319341D+02 -0.157500D+02
      6  -0.309799D+01  0.915579D+00 -0.453020D+01 -0.131830D+02 -0.700637D+01
                81            82            83            84            85 
      1  -0.191581D+02 -0.170799D+02 -0.207568D+01 -0.139425D+02 -0.189955D+00
      2   0.126321D+02  0.149053D+02  0.716929D+01  0.130287D+02  0.365054D+01
      3   0.652593D+01  0.217456D+01 -0.509361D+01  0.913823D+00 -0.346059D+01
      4  -0.204051D+02 -0.124380D+01  0.976769D+01 -0.441099D+01  0.920696D+01
      5  -0.103026D+02 -0.673581D+01  0.202496D+01  0.148728D+01  0.517335D+01
      6  -0.865591D+01 -0.101937D+02  0.554438D+01  0.353924D+01  0.316691D+01
                86            87            88            89            90 
      1   0.959221D+01 -0.619233D+01 -0.163025D+02 -0.115677D+02  0.130966D+02
      2  -0.419774D+01  0.989930D+01  0.152818D+02  0.181174D+02 -0.148751D+02
      3  -0.539447D+01 -0.370697D+01  0.102064D+01 -0.654975D+01  0.177853D+01
      4  -0.127423D+01  0.119610D+02 -0.357805D+01  0.172060D+02 -0.881806D+00
      5   0.625023D+01 -0.241883D+01  0.310192D+01 -0.362311D+01  0.273066D+00
      6   0.168845D+02 -0.128254D+02  0.419917D+01 -0.174804D+02  0.218543D+01
                91            92            93            94            95 
      1  -0.272566D+02 -0.356890D+02 -0.374971D+00 -0.517095D+02 -0.143673D+02
      2   0.158364D+02  0.191837D+02  0.182950D+01  0.279538D+02  0.467922D+01
      3   0.114202D+02  0.165053D+02 -0.145453D+01  0.237557D+02  0.968807D+01
      4  -0.413150D+02  0.100876D+01  0.135363D+02 -0.177424D+02  0.270995D+02
      5  -0.564454D+01  0.147571D+02  0.125426D+02  0.160044D+02 -0.910158D+01
      6   0.605782D+01 -0.353533D+01 -0.532463D+01 -0.369285D+01  0.562916D+01
                96            97            98            99           100 
      1   0.139710D+02 -0.955128D+01  0.152797D+02  0.137855D+02  0.485913D+02
      2  -0.172414D+00  0.397159D+00  0.240553D+01 -0.421501D+01 -0.240962D+02
      3  -0.137986D+02  0.915412D+01 -0.176852D+02 -0.957052D+01 -0.244951D+02
      4  -0.958688D+01  0.167590D+02 -0.158291D+02  0.265207D+02  0.248976D+02
      5   0.212064D+02 -0.881266D+00  0.284402D+02  0.209288D+02 -0.214101D+02
      6  -0.599335D+01  0.211396D+01 -0.981927D+01 -0.831133D+01 -0.575785D+01
               101           102           103           104           105 
      1   0.101410D+02 -0.178775D+02  0.441957D+01  0.464364D+01 -0.332594D-01
      2  -0.274633D+01  0.955614D+01 -0.203654D+00 -0.838973D+00 -0.148354D+01
      3  -0.739467D+01  0.832140D+01 -0.421591D+01 -0.380467D+01  0.151680D+01
      4   0.145443D+02 -0.831672D+01  0.112753D+02  0.496422D+01 -0.530737D+01
      5  -0.409561D+01  0.175761D+02 -0.205429D+01 -0.531764D+01  0.362163D+01
      6  -0.195282D+01  0.551804D+01 -0.226805D+01 -0.262361D+01  0.385189D+01
               106           107           108           109           110 
      1  -0.292553D+02 -0.357860D+01  0.152212D+02  0.185607D+02  0.766015D+01
      2   0.159986D+02 -0.739982D+00 -0.109942D+02 -0.104069D+02 -0.344893D+01
      3   0.132567D+02  0.431858D+01 -0.422695D+01 -0.815378D+01 -0.421122D+01
      4  -0.150481D+02 -0.113308D+02  0.122047D+02  0.165055D+02  0.103442D+02
      5   0.235047D+02  0.779385D+01 -0.191095D+02  0.150892D+02  0.667228D+01
      6   0.747187D+01  0.499092D+01 -0.637470D+01  0.701241D+01  0.431210D+01
               111           112           113           114           115 
      1   0.682271D+01  0.618134D+01 -0.127399D+01  0.244876D+00  0.141766D+02
      2  -0.486033D+01 -0.185303D+01  0.383057D+01  0.139200D+01 -0.105032D+02
      3  -0.196238D+01 -0.432831D+01 -0.255658D+01 -0.163687D+01 -0.367347D+01
      4   0.838274D+01  0.128420D+02  0.102060D+02  0.109090D+02  0.189359D+02
      5   0.167079D+02  0.735815D+01  0.956663D+01  0.935562D+01  0.291497D+02
      6   0.634979D+01  0.607522D+01  0.750485D+01  0.884545D+01  0.134253D+02
               116           117           118           119           120 
      1   0.145750D+01  0.626262D+01 -0.122509D+01 -0.164315D+00  0.144014D+01
      2   0.113855D+01 -0.122344D+02 -0.572553D+01  0.965815D+00  0.462628D+01
      3  -0.259604D+01  0.597178D+01  0.695061D+01 -0.801501D+00 -0.606642D+01
      4   0.189226D+02  0.192250D+02 -0.194673D+01  0.369968D+01 -0.414602D+00
      5   0.152286D+02  0.354060D+02 -0.942024D+01  0.612175D+00  0.117684D+02
      6   0.124737D+02  0.184154D+02 -0.448888D+00 -0.130904D+01  0.215276D+00
               121           122           123           124           125 
      1   0.512066D+01 -0.398120D+01 -0.234702D+01  0.852699D+01  0.311975D+00
      2  -0.119006D+01 -0.351529D+00 -0.126650D+01  0.608805D+01 -0.295284D+01
      3  -0.393060D+01  0.433273D+01  0.361352D+01 -0.146150D+02  0.264086D+01
      4   0.535791D+01  0.660153D+00 -0.299691D+01 -0.439359D+00 -0.362348D+01
      5   0.177450D+01 -0.305080D+01 -0.171279D+01  0.176175D+02 -0.174571D+01
      6  -0.160534D+01  0.132283D+01  0.642487D+01  0.187042D+01  0.464411D+01
               126           127           128           129           130 
      1  -0.225844D+02 -0.368536D+01  0.763435D+01  0.556392D+01  0.482249D+01
      2  -0.182944D+02  0.325505D+01 -0.987951D+01 -0.488056D+01 -0.562998D+01
      3   0.408788D+02  0.430312D+00  0.224516D+01 -0.683363D+00  0.807496D+00
      4  -0.109251D+01 -0.522011D+01  0.105367D+01  0.309520D+01  0.249924D+01
      5  -0.234882D+02  0.219630D+00 -0.358717D+00 -0.526248D+00 -0.305456D+00
      6  -0.939894D+00  0.625427D+01 -0.398476D+01 -0.604546D+01 -0.263212D+01
               131           132           133           134           135 
      1  -0.115500D+02 -0.452956D+01  0.885728D+01 -0.897215D+01 -0.126392D+02
      2   0.134712D+02  0.453813D+01 -0.610478D+01  0.102090D+02  0.820992D+01
      3  -0.192124D+01 -0.856933D-02 -0.275250D+01 -0.123687D+01  0.442931D+01
      4  -0.845880D+00 -0.113723D+01  0.601394D+01 -0.323186D+00 -0.195739D+01
      5   0.458236D+00  0.118708D+01  0.223366D+00  0.184785D+01  0.330134D+01
      6   0.436892D+01  0.805179D+01 -0.506844D+01  0.106755D+02  0.126490D+02
               136           137           138           139           140 
      1  -0.146332D+01  0.387930D+01 -0.796032D+00  0.276178D+01 -0.307411D+02
      2   0.291039D+01 -0.255775D+01 -0.629272D-01 -0.511381D+00  0.408746D+02
      3  -0.144707D+01 -0.132154D+01  0.858959D+00 -0.225040D+01 -0.101335D+02
      4   0.420049D+01  0.694894D+01 -0.283276D+01  0.751020D+01  0.182850D+02
      5  -0.862911D+00 -0.261615D+01  0.309170D+01 -0.207174D+01 -0.822824D+01
      6  -0.327243D+01 -0.301497D+00 -0.745530D+00 -0.962305D+00 -0.256488D+02
               141           142           143           144           145 
      1   0.147918D+02 -0.420772D+00  0.210727D+02 -0.174983D+02 -0.706530D+01
      2  -0.161684D+02 -0.163105D+01 -0.226820D+02  0.124378D+02  0.624506D+01
      3   0.137656D+01  0.205182D+01  0.160931D+01  0.506049D+01  0.820240D+00
      4  -0.848592D+01 -0.441983D+01 -0.126708D+02  0.765174D+01  0.193949D+01
      5   0.554689D+01  0.288795D+01  0.844480D+01 -0.745840D+01 -0.328356D+01
      6   0.182945D+02  0.657593D-01  0.237745D+02 -0.205591D+02 -0.495725D+01
               146           147           148           149           150 
      1  -0.103587D+02  0.594212D+01 -0.827724D+01 -0.218916D+02  0.660764D+01
      2   0.116111D+02 -0.185800D+01  0.965207D+01  0.256478D+02 -0.173051D+01
      3  -0.125243D+01 -0.408413D+01 -0.137483D+01 -0.375621D+01 -0.487713D+01
      4  -0.591863D+00 -0.741253D+00  0.173035D+01 -0.800888D+01  0.245474D+01
      5  -0.412108D+01  0.236235D+01 -0.590457D+01 -0.261752D+01 -0.256543D+01
      6  -0.919855D+01  0.355862D+01 -0.617047D+01 -0.178664D+02  0.902157D+01
               151           152           153           154           155 
      1   0.170910D+01  0.495437D+00 -0.181248D+01 -0.666140D+01  0.301678D+01
      2  -0.215094D-02  0.198756D+01  0.106503D+01 -0.184209D+01  0.277520D+01
      3  -0.170695D+01 -0.248300D+01  0.747449D+00  0.850349D+01 -0.579198D+01
      4  -0.793140D+00 -0.564408D+00 -0.575310D+00  0.277010D+01 -0.302607D+01
      5   0.251756D+01 -0.564445D+00 -0.237125D+00 -0.247697D+01  0.887550D+00
      6   0.147028D+01  0.468661D+01 -0.152377D+01  0.255008D+01 -0.559503D+01
               156           157           158           159           160 
      1   0.965291D+01  0.469135D+01 -0.887641D+01 -0.990287D+01  0.586006D+01
      2   0.234127D+01  0.116383D+01  0.197150D+01 -0.415449D+01  0.135893D+01
      3  -0.119942D+02 -0.585518D+01  0.690491D+01  0.140574D+02 -0.721899D+01
      4  -0.307991D+01 -0.331276D+01  0.643634D+01  0.365836D+01 -0.308562D+01
      5   0.328381D+01  0.227581D+01 -0.965710D+00  0.351043D+01  0.513168D+01
      6  -0.285268D+01 -0.432435D+01  0.835869D+01  0.522561D+01 -0.307049D+01
               161           162           163           164           165 
      1  -0.602733D+01 -0.963933D+01  0.168464D+02 -0.137490D+01  0.335296D+01
      2  -0.216076D+01 -0.636608D+01 -0.180243D+02  0.288543D+01 -0.155253D+02
      3   0.818809D+01  0.160054D+02  0.117796D+01 -0.151054D+01  0.121723D+02
      4   0.277165D+01  0.353882D+01 -0.127899D+02  0.958142D+01 -0.969077D+01
      5  -0.223266D+00  0.177848D+01  0.327415D+02 -0.972990D+01  0.310509D+02
      6   0.559522D+01  0.434659D+01 -0.782832D+01  0.721094D+01 -0.959008D+01
               166           167           168           169           170 
      1  -0.883873D+00 -0.149161D+01  0.995225D+00  0.441898D+01  0.853988D+00
      2   0.158354D+01  0.160020D+00  0.384791D+00 -0.129442D+02  0.167882D+01
      3  -0.699667D+00  0.133159D+01 -0.138002D+01  0.852521D+01 -0.253281D+01
      4   0.673020D+01 -0.535805D+01  0.658267D+01 -0.781897D+01  0.607984D+01
      5  -0.546426D+01  0.672090D+01 -0.522666D+01  0.248977D+02 -0.783946D+01
      6   0.462602D+01 -0.547899D+01  0.740127D+01 -0.721636D+01  0.718308D+01
               171           172           173           174           175 
      1  -0.215314D+01  0.167215D+02 -0.153629D+01 -0.970446D+01  0.600762D+01
      2  -0.168605D+02 -0.122767D+02  0.600674D+00  0.105638D+02 -0.420329D+01
      3   0.190137D+02 -0.444479D+01  0.935616D+00 -0.859299D+00 -0.180432D+01
      4  -0.815198D+01 -0.491979D+01  0.302082D+01  0.710383D+00  0.751697D+00
      5   0.292281D+02 -0.144298D+02 -0.155115D+01  0.192379D+02 -0.694275D+01
      6  -0.100159D+02  0.255933D+01 -0.204883D+00 -0.506257D+01  0.310650D+00
               176           177           178           179           180 
      1  -0.172102D+01 -0.480520D+01 -0.145465D+02 -0.252934D+01  0.974813D+01
      2  -0.120105D+00  0.735581D+01  0.148586D+02  0.504684D+01 -0.240406D+02
      3   0.184112D+01 -0.255061D+01 -0.312138D+00 -0.251750D+01  0.142925D+02
      4   0.418629D+01 -0.463180D+01  0.412057D+01 -0.890697D+01 -0.339648D+01
      5  -0.500594D+01  0.971775D+01  0.269275D+02  0.205626D+00 -0.458553D+02
      6  -0.462334D+00  0.155648D+01 -0.728348D+01  0.495505D+01  0.140690D+02
               181           182           183           184           185 
      1  -0.730561D+01 -0.180403D+02 -0.185650D+01 -0.133710D+02 -0.324178D+02
      2   0.728361D+01  0.199303D+02  0.217690D+01  0.940351D+01  0.445834D+02
      3   0.219919D-01 -0.189006D+01 -0.320392D+00  0.396751D+01 -0.121656D+02
      4   0.549275D+00 -0.784014D+01 -0.348419D+01  0.526352D+01 -0.303389D+02
      5   0.288707D+01 -0.208188D+01 -0.107110D+01  0.762079D+00 -0.343685D+01
      6   0.792427D+00  0.579896D+01  0.418392D+01  0.201932D+01  0.122140D+02
               186           187           188           189           190 
      1  -0.673142D+01  0.456643D+00 -0.665509D+01 -0.330973D+01  0.633344D+02
      2   0.601483D+01  0.109995D+01  0.489789D+01  0.247035D+01 -0.265030D+02
      3   0.716595D+00 -0.155659D+01  0.175720D+01  0.839374D+00 -0.368315D+02
      4  -0.439185D+01 -0.223544D+01 -0.212772D+01 -0.361930D+01 -0.374150D+02
      5  -0.484237D+01  0.310939D+01 -0.376459D+01 -0.449175D+01  0.152905D+02
      6   0.855458D+01  0.632120D+00  0.782955D+01  0.412599D+01 -0.684270D+01
               191           192           193           194           195 
      1  -0.180909D+02  0.154198D+02 -0.107825D+02  0.507084D+01 -0.396288D+01
      2   0.391278D+01 -0.549418D+01  0.621280D+00  0.377963D+01  0.396282D+00
      3   0.141781D+02 -0.992559D+01  0.101612D+02 -0.885047D+01  0.356660D+01
      4   0.211454D+02 -0.987198D+01  0.174852D+02 -0.145250D+02  0.635728D+01
      5  -0.557438D+01  0.157802D+02 -0.461137D+01  0.467014D+01 -0.206365D+01
      6   0.356467D+01 -0.672246D+01  0.337207D+01 -0.164062D+01  0.293032D+01
               196           197           198           199           200 
      1   0.294543D+02 -0.890133D+01  0.131151D+02  0.574407D+00 -0.182854D+00
      2  -0.110511D+02  0.667433D+00 -0.817070D+01 -0.119529D+01  0.465918D+00
      3  -0.184031D+02  0.823390D+01 -0.494444D+01  0.620886D+00 -0.283064D+00
      4  -0.213179D+02  0.157247D+02 -0.890473D+01  0.576512D+00  0.263935D+01
      5   0.183532D+02 -0.585287D+01  0.132270D+02  0.462583D+00  0.149105D+01
      6  -0.780789D+01  0.404727D+01 -0.660453D+01  0.268352D+01  0.564830D+00
               201           202           203           204           205 
      1   0.870970D+00  0.480725D+01 -0.171242D+02 -0.771178D+01  0.187881D+01
      2  -0.577154D+00 -0.302240D+01  0.160090D+02  0.317216D+01 -0.338134D+01
      3  -0.293815D+00 -0.178484D+01  0.111522D+01  0.453961D+01  0.150253D+01
      4   0.109351D+01  0.219230D+01  0.496928D+01  0.186247D+01  0.185144D+01
      5   0.154966D+01  0.122216D+01  0.263238D+01  0.225687D+01  0.196807D+01
      6   0.760703D+00 -0.647613D+00  0.113197D+02  0.734164D+01  0.199155D+01
               206           207           208           209           210 
      1  -0.515983D+01 -0.244434D+01  0.100548D+01 -0.406216D+01 -0.154231D+01
      2   0.231084D+01  0.129269D+01  0.127807D+01  0.247136D+01  0.660384D+00
      3   0.284899D+01  0.115166D+01 -0.228354D+01  0.159080D+01  0.881929D+00
      4   0.668603D+00  0.113323D+01 -0.342528D+01  0.340639D+01  0.129011D+01
      5   0.194866D+01  0.101364D+01 -0.207974D+01  0.959340D+00  0.593035D+00
      6   0.525343D+01  0.413274D+01  0.731997D+00 -0.960458D+00 -0.449176D-01
               211           212           213           214           215 
      1  -0.384858D+01 -0.143087D+02 -0.197661D+01 -0.292313D+01 -0.215716D+01
      2   0.670746D+00  0.209322D+02  0.252834D+01 -0.290108D+00  0.353058D+01
      3   0.317784D+01 -0.662351D+01 -0.551734D+00  0.321323D+01 -0.137343D+01
      4   0.632558D+01 -0.174985D+02 -0.331005D+01  0.375179D+01 -0.456049D+01
      5   0.183384D+01 -0.253340D+01 -0.273581D+01 -0.209037D+01 -0.153115D+01
      6  -0.114530D+01  0.126337D+01  0.412761D+01  0.191708D+01  0.252562D+01
               216           217           218           219           220 
      1  -0.301288D+01  0.156818D+02 -0.614915D+01  0.615763D+01 -0.198848D+02
      2   0.248172D+01 -0.522989D+01  0.124155D+01 -0.244689D+01  0.465132D+01
      3   0.531160D+00 -0.104519D+02  0.490760D+01 -0.371074D+01  0.152335D+02
      4  -0.211209D+01 -0.745062D+01  0.985890D+01 -0.638552D+01  0.296002D+02
      5  -0.967020D+00  0.707983D+01 -0.570758D+01  0.394757D+01 -0.535897D+01
      6   0.156272D+01 -0.303125D+01  0.102294D+01 -0.495876D+00  0.285339D+01
               221           222           223           224           225 
      1   0.856814D+01 -0.366385D+00  0.187649D+02 -0.618308D+01  0.104174D+01
      2   0.103187D+02 -0.474861D+01 -0.703059D+01 -0.341107D+01  0.655867D-01
      3  -0.188868D+02  0.511500D+01 -0.117343D+02  0.959415D+01 -0.110733D+01
      4  -0.508888D+02  0.146939D+02 -0.170064D+02  0.255385D+02 -0.184574D+02
      5   0.159474D+02 -0.187941D+02  0.118875D+02 -0.196857D+02  0.165516D+02
      6  -0.711252D+01  0.747742D+01 -0.425907D+01  0.903911D+01 -0.667118D+01
               226           227           228           229           230 
      1   0.599224D+00 -0.540141D+00 -0.867039D+01 -0.686114D+01 -0.935262D+00
      2  -0.141033D+01  0.658167D-01  0.234765D+01  0.311051D+01  0.147806D+01
      3   0.811101D+00  0.474324D+00  0.632274D+01  0.375063D+01 -0.542794D+00
      4   0.335920D+01 -0.179347D+01 -0.220164D+01  0.115789D+02 -0.192570D+02
      5  -0.246884D+01 -0.284182D+01 -0.268013D+01  0.324594D+01 -0.118852D+02
      6   0.191939D+01  0.224684D+01  0.221802D+01 -0.158635D+01  0.726604D+01
               231           232           233           234           235 
      1  -0.547106D+01 -0.186106D+02 -0.564680D+01 -0.121035D+02  0.978333D+02
      2   0.123901D+01  0.122963D+02 -0.209264D+00 -0.903213D+01 -0.523708D+02
      3   0.423206D+01  0.631421D+01  0.585606D+01  0.211357D+02 -0.454625D+02
      4  -0.120174D+02  0.708178D+01 -0.151948D+02 -0.199676D+02  0.159340D+02
      5  -0.172905D+02  0.156578D+02 -0.215236D+02 -0.502597D+02 -0.120421D+02
      6   0.102559D+02 -0.366438D+01  0.118661D+02  0.167771D+02 -0.267314D+01
               236           237           238           239           240 
      1   0.199691D+02 -0.692234D+01  0.445376D+02  0.165645D+02 -0.461827D+01
      2  -0.116424D+02  0.517412D+01 -0.240357D+02 -0.761379D+01  0.272086D+01
      3  -0.832666D+01  0.174822D+01 -0.205018D+02 -0.895071D+01  0.189741D+01
      4   0.154853D+02 -0.262791D+01  0.191039D+02  0.143178D+02 -0.966564D+00
      5  -0.369863D+01  0.139334D+02 -0.728774D+01 -0.160513D+01  0.686034D+01
      6  -0.149087D+01 -0.208429D-01 -0.234339D+01 -0.241259D+01  0.195148D+01
               241           242           243 
      1  -0.269491D+01 -0.220399D+01  0.874757D+01
      2   0.288454D+01  0.744015D+00 -0.624367D+01
      3  -0.189624D+00  0.145997D+01 -0.250390D+01
      4  -0.207669D+01  0.764207D+00  0.114887D+01
      5   0.137177D+02  0.159179D+01 -0.532741D+01
      6   0.459313D+00  0.239315D+01  0.416549D+00
 Leave Link  716 at Fri Aug 13 11:38:59 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.164694D+03 -0.310971D+01 -0.547170D+01
      2  -0.310971D+01  0.117645D+03  0.218569D+01
      3  -0.547170D+01  0.218569D+01  0.100804D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.994025D-01  0.476680D+01 -0.695628D+01
      2   0.350942D+02 -0.106579D+02  0.293380D+02
      3   0.230763D+02 -0.119943D+02  0.116341D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.656645D+02 -0.123257D+02  0.204435D+02
      2   0.152978D+02  0.168612D+02 -0.313040D+02
      3   0.503667D+02 -0.453549D+01  0.108605D+02
      4   0.388463D+01  0.225187D+02 -0.224337D+02
      5   0.281256D+02 -0.239439D+02  0.752579D+02
      6  -0.319293D+01 -0.315301D+01  0.122150D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.313434D+01  0.115096D+01 -0.377727D+01  0.376241D+00  0.354686D+01
      2   0.115096D+01  0.360944D+01  0.218449D+01  0.354686D+01  0.212928D+01
      3  -0.377727D+01  0.218449D+01 -0.334160D+01  0.208885D+01 -0.150432D+01
                 6             7             8             9            10 
      1   0.208885D+01 -0.341814D+01  0.259374D+01 -0.303021D+01  0.218461D+02
      2  -0.150432D+01  0.259374D+01 -0.921779D+00 -0.984116D+00 -0.251340D+01
      3  -0.152201D+01 -0.303021D+01 -0.984116D+00  0.838479D+00  0.342508D+01
                11            12            13            14            15 
      1  -0.251340D+01  0.342508D+01 -0.104775D+02 -0.211697D+01 -0.260039D+01
      2  -0.260365D+01 -0.209252D+01 -0.211697D+01 -0.451920D+01  0.104167D+01
      3  -0.209252D+01  0.325672D+01 -0.260039D+01  0.104167D+01  0.947818D+00
                16            17            18            19            20 
      1   0.135238D+02 -0.305709D+01  0.530710D+01 -0.368264D+02  0.209452D+01
      2  -0.305709D+01  0.183325D+01  0.540129D+00  0.209452D+01 -0.216492D+01
      3   0.530710D+01  0.540129D+00 -0.237991D+01 -0.175426D+00  0.950834D+00
                21            22            23            24            25 
      1  -0.175426D+00  0.875023D+01 -0.225932D+01  0.223233D+01 -0.497803D+01
      2   0.950834D+00 -0.225932D+01 -0.219211D+01 -0.166521D+01  0.219827D+01
      3  -0.282872D+01  0.223233D+01 -0.166521D+01  0.180153D+01 -0.665998D+01
                26            27            28            29            30 
      1   0.219827D+01 -0.665998D+01  0.547240D+02 -0.508019D+00 -0.322881D+01
      2  -0.218266D+01  0.132312D+01 -0.508019D+00  0.182669D+01 -0.596035D+00
      3   0.132312D+01  0.485920D+01 -0.322881D+01 -0.596035D+00  0.222540D+01
                31            32            33            34            35 
      1  -0.129329D+02  0.199322D+01  0.553525D-01 -0.130709D+02 -0.161097D+01
      2   0.199322D+01  0.263021D+01  0.137117D+01 -0.161097D+01  0.932562D+00
      3   0.553525D-01  0.137117D+01 -0.889915D+00  0.666961D+01 -0.332673D+00
                36            37            38            39            40 
      1   0.666961D+01 -0.505668D+02 -0.265992D+01  0.330994D+01  0.123709D+02
      2  -0.332673D+00 -0.265992D+01 -0.113656D+01  0.821846D+00 -0.368857D+01
      3  -0.420911D+01  0.330994D+01  0.821846D+00 -0.152016D+01 -0.621883D+00
                41            42            43            44            45 
      1  -0.368857D+01 -0.621883D+00  0.145079D+02  0.144294D+01 -0.522892D+01
      2  -0.216380D+01 -0.128028D+01  0.144294D+01 -0.140017D+01  0.895527D+00
      3  -0.128028D+01  0.172271D+01 -0.522892D+01  0.895527D+00  0.231260D+01
                46            47            48            49            50 
      1   0.186059D+02  0.347437D+01 -0.133269D+01  0.235296D+02  0.859816D+01
      2   0.347437D+01 -0.138301D+00  0.150019D+00  0.859816D+01  0.629897D+01
      3  -0.133269D+01  0.150019D+00 -0.560374D+00  0.354524D-01  0.383309D+00
                51            52            53            54            55 
      1   0.354524D-01  0.243637D+01  0.194453D+01 -0.693435D+00 -0.676332D+01
      2   0.383309D+00  0.194453D+01  0.121941D+01  0.647053D+00 -0.330658D+01
      3  -0.144517D+00 -0.693435D+00  0.647053D+00  0.696229D+00 -0.421827D+00
                56            57            58            59            60 
      1  -0.330658D+01 -0.421827D+00 -0.248315D+02 -0.992990D+01  0.491628D+00
      2  -0.156234D+01 -0.469679D+00 -0.992990D+01 -0.113562D+02 -0.676946D+00
      3  -0.469679D+00 -0.481736D+00  0.491628D+00 -0.676946D+00 -0.166963D+01
                61            62            63            64            65 
      1  -0.586381D+01 -0.207920D+01 -0.173676D+01 -0.585593D+01  0.186438D+01
      2  -0.207920D+01 -0.118380D+01 -0.277123D+01  0.186438D+01  0.310562D+01
      3  -0.173676D+01 -0.277123D+01 -0.130923D+01 -0.238504D+01  0.261583D+01
                66            67            68            69            70 
      1  -0.238504D+01  0.157133D+01  0.240327D+01  0.278169D+01 -0.422963D+01
      2   0.261583D+01  0.240327D+01  0.344618D+01 -0.166833D+00  0.278978D+01
      3  -0.282609D+01  0.278169D+01 -0.166833D+00 -0.169044D+01 -0.379428D+01
                71            72            73            74            75 
      1   0.278978D+01 -0.379428D+01 -0.230500D+01 -0.223560D+01  0.163192D+01
      2  -0.560549D+00 -0.890953D+00 -0.223560D+01  0.189626D+01 -0.677822D+00
      3  -0.890953D+00  0.407254D+01  0.163192D+01 -0.677822D+00 -0.271605D+01
                76            77            78            79            80 
      1  -0.330883D+01  0.247153D+01 -0.158358D+01 -0.271437D+00 -0.122677D+01
      2   0.247153D+01  0.586867D+01 -0.330150D+00 -0.122677D+01 -0.913119D+00
      3  -0.158358D+01 -0.330150D+00 -0.158592D+01 -0.458960D+01 -0.217245D+01
                81            82            83            84            85 
      1  -0.458960D+01 -0.340421D+01  0.201175D+01 -0.232581D+01  0.252085D+01
      2  -0.217245D+01  0.201175D+01  0.180560D+01  0.156525D+01  0.232574D+01
      3  -0.137195D+01 -0.232581D+01  0.156525D+01  0.907374D+00  0.125203D+01
                86            87            88            89            90 
      1   0.232574D+01  0.125203D+01 -0.241250D+01  0.180087D+01  0.128652D+01
      2  -0.777476D+00  0.289840D+01  0.180087D+01  0.398205D+01 -0.232084D+01
      3   0.289840D+01 -0.201576D+01  0.128652D+01 -0.232084D+01 -0.528594D+00
                91            92            93            94            95 
      1   0.250657D+01  0.445111D+01  0.734666D+00  0.720222D+01  0.272072D+01
      2   0.445111D+01  0.659719D+00 -0.157497D+01  0.272072D+01 -0.389458D+01
      3   0.734666D+00 -0.157497D+01 -0.118305D+01 -0.158276D+01  0.777276D+00
                96            97            98            99           100 
      1  -0.158276D+01  0.155967D+01 -0.161385D+01  0.306093D-01  0.635306D+01
      2   0.777276D+00 -0.161385D+01  0.129874D+01 -0.368033D+01  0.178317D+01
      3  -0.299481D+01  0.306093D-01 -0.368033D+01 -0.318957D+01 -0.259230D+01
               101           102           103           104           105 
      1   0.178317D+01 -0.259230D+01  0.675978D+00  0.940165D+00 -0.263746D+00
      2   0.143969D+01 -0.550609D+00  0.940165D+00  0.334269D+00 -0.594127D+00
      3  -0.550609D+00  0.213725D+01 -0.263746D+00 -0.594127D+00  0.486659D+00
               106           107           108           109           110 
      1  -0.465908D+01 -0.907823D+00  0.288246D+01  0.264457D+01  0.149084D+01
      2  -0.907823D+00 -0.147029D+01  0.112050D+01  0.149084D+01  0.796326D+00
      3   0.288246D+01  0.112050D+01 -0.258039D+01  0.168699D+01  0.797970D+00
               111           112           113           114           115 
      1   0.168699D+01  0.796706D+00  0.120931D+01  0.953392D+00  0.411811D+01
      2   0.797970D+00  0.120931D+01  0.137619D+01  0.139902D+01  0.192736D+01
      3   0.188468D+01  0.953392D+00  0.139902D+01  0.137400D+01  0.381939D+01
               116           117           118           119           120 
      1   0.192736D+01  0.381939D+01  0.569893D+01 -0.721917D+00 -0.178493D+01
      2   0.250112D+01  0.219542D+01 -0.721917D+00  0.529801D+00 -0.100750D-01
      3   0.219542D+01  0.525449D+01 -0.178493D+01 -0.100750D-01  0.184289D+01
               121           122           123           124           125 
      1  -0.444172D+01  0.836671D+00  0.161064D-01 -0.360330D+01 -0.257751D+00
      2   0.836671D+00 -0.670954D-01 -0.958526D+00 -0.257751D+00 -0.122178D+01
      3   0.161064D-01 -0.958526D+00 -0.976969D+00  0.345741D+01 -0.744197D+00
               126           127           128           129           130 
      1   0.345741D+01 -0.148043D+01  0.414533D+00  0.116109D+01  0.530180D+00
      2  -0.744197D+00  0.414533D+00 -0.167183D+01 -0.810292D+00 -0.956727D+00
      3  -0.831811D+01  0.116109D+01 -0.810292D+00 -0.134318D+01 -0.533606D+00
               131           132           133           134           135 
      1  -0.956727D+00 -0.533606D+00  0.197638D+01 -0.756395D+00 -0.985911D+00
      2   0.200361D+01  0.782781D+00 -0.756395D+00  0.186118D+01  0.163199D+01
      3   0.782781D+00  0.108448D+01 -0.985911D+00  0.163199D+01  0.287160D+01
               136           137           138           139           140 
      1   0.695884D+00  0.990576D+00 -0.395985D+00  0.365059D+00  0.148038D+00
      2   0.990576D+00 -0.689185D-01 -0.970937D-01  0.148038D+00  0.703993D+01
      3  -0.395985D+00 -0.970937D-01 -0.107135D+00 -0.151949D+00 -0.327120D+01
               141           142           143           144           145 
      1  -0.151949D+00 -0.938446D+00 -0.324446D+00 -0.221592D+00 -0.204494D+01
      2  -0.327120D+01 -0.324446D+00 -0.468264D+01  0.327815D+01 -0.160628D+01
      3   0.234523D+01 -0.221592D+00  0.327815D+01 -0.310591D+01  0.507263D+00
               146           147           148           149           150 
      1  -0.160628D+01  0.507263D+00 -0.154267D+01 -0.203715D+01  0.166843D+00
      2  -0.267631D+01  0.476725D+00 -0.203715D+01 -0.563611D+01  0.137223D+01
      3   0.476725D+00 -0.743434D+00  0.166843D+00  0.137223D+01 -0.148803D+01
               151           152           153           154           155 
      1  -0.341855D+00 -0.356516D-01 -0.257812D+00 -0.220141D+01  0.944495D+00
      2  -0.356516D-01  0.314257D-01 -0.563468D+00  0.944495D+00 -0.155130D+01
      3  -0.257812D+00 -0.563468D+00  0.150878D+00  0.128310D+01 -0.682890D+00
               156           157           158           159           160 
      1   0.128310D+01  0.146057D+01 -0.139002D+01 -0.853379D+00  0.999745D+00
      2  -0.682890D+00 -0.139002D+01  0.218909D+01  0.111012D+01 -0.711344D+00
      3  -0.168853D+01 -0.853379D+00  0.111012D+01  0.246133D+01 -0.944778D+00
               161           162           163           164           165 
      1  -0.711344D+00 -0.944778D+00  0.530044D+01 -0.138713D+01  0.362315D+01
      2   0.102247D+01  0.117945D+01 -0.138713D+01  0.117785D+01 -0.137801D+01
      3   0.117945D+01  0.240588D+01  0.362315D+01 -0.137801D+01  0.431592D+01
               166           167           168           169           170 
      1  -0.493933D+00  0.674709D+00 -0.728768D+00  0.239157D+01 -0.100655D+01
      2   0.674709D+00 -0.108251D+01  0.117168D+01 -0.100655D+01  0.101837D+01
      3  -0.728768D+00  0.117168D+01 -0.682397D+00  0.309414D+01 -0.113147D+01
               171           172           173           174           175 
      1   0.309414D+01  0.240550D+01 -0.145526D+00 -0.162328D+01  0.105663D+01
      2  -0.113147D+01 -0.145526D+00  0.896255D-01 -0.223965D+00 -0.567771D-01
      3   0.444930D+01 -0.162328D+01 -0.223965D+00  0.214681D+01 -0.848837D+00
               176           177           178           179           180 
      1  -0.567771D-01 -0.848837D+00 -0.250395D+01  0.112248D+00  0.321331D+01
      2   0.484139D+00 -0.780624D+00  0.112248D+00 -0.139989D+01  0.119635D-01
      3  -0.780624D+00  0.148749D+01  0.321331D+01  0.119635D-01 -0.669775D+01
               181           182           183           184           185 
      1  -0.111580D+01 -0.105571D+01  0.894366D-01 -0.153572D+01 -0.626365D+00
      2  -0.105571D+01 -0.334247D+01 -0.800058D+00 -0.626365D+00 -0.773558D+01
      3   0.894366D-01 -0.800058D+00 -0.609514D+00 -0.227220D+00 -0.121868D+01
               186           187           188           189           190 
      1  -0.227220D+00  0.355492D+00 -0.424069D+00  0.155071D+00  0.794428D+01
      2  -0.121868D+01 -0.424069D+00 -0.736693D+00 -0.101871D+01 -0.304838D+01
      3  -0.113224D+01  0.155071D+00 -0.101871D+01 -0.856749D+00  0.204429D+01
               191           192           193           194           195 
      1  -0.304838D+01  0.204429D+01 -0.142735D+01  0.159378D+01 -0.748678D+00
      2   0.179824D+01 -0.833497D+00  0.159378D+01 -0.179791D+01  0.584237D+00
      3  -0.833497D+00  0.189830D+01 -0.748678D+00  0.584237D+00 -0.272673D+00
               196           197           198           199           200 
      1   0.482113D+01 -0.198980D+01  0.226791D+01  0.319370D+00 -0.862213D+00
      2  -0.198980D+01  0.178256D+01 -0.735346D+00 -0.862213D+00 -0.428259D+00
      3   0.226791D+01 -0.735346D+00  0.165633D+01 -0.624717D+00 -0.119206D+00
               201           202           203           204           205 
      1  -0.624717D+00 -0.194149D+01 -0.163310D-01  0.284201D+00 -0.199655D+01
      2  -0.119206D+00 -0.163310D-01 -0.562223D+01 -0.164159D+01  0.388519D+00
      3  -0.494753D-01  0.284201D+00 -0.164159D+01 -0.155051D+01 -0.832898D+00
               206           207           208           209           210 
      1   0.388519D+00 -0.832898D+00 -0.849239D+00  0.124464D+01  0.562760D+00
      2  -0.123892D+01 -0.109842D+01  0.124464D+01  0.239304D+00 -0.117154D+00
      3  -0.109842D+01 -0.709305D+00  0.562760D+00 -0.117154D+00 -0.150025D+00
               211           212           213           214           215 
      1   0.218432D+01 -0.391372D+00 -0.320102D+00  0.818211D+00 -0.499210D+00
      2  -0.391372D+00  0.583038D+01  0.112550D+01 -0.499210D+00  0.134579D+01
      3  -0.320102D+00  0.112550D+01  0.959079D+00  0.352406D+00  0.575763D+00
               216           217           218           219           220 
      1   0.352406D+00 -0.249888D+01  0.522918D+00 -0.764916D+00  0.311982D+01
      2   0.575763D+00  0.522918D+00 -0.655007D+00  0.563103D+00 -0.296850D+01
      3   0.186169D+00 -0.764916D+00  0.563103D+00 -0.242799D+00  0.399985D+00
               221           222           223           224           225 
      1  -0.296850D+01  0.399985D+00 -0.245066D+01  0.160156D+01 -0.105003D+01
      2   0.603691D+01 -0.171661D+01  0.160156D+01 -0.297517D+01  0.225836D+01
      3  -0.171661D+01  0.226730D+01 -0.105003D+01  0.225836D+01 -0.186878D+01
               226           227           228           229           230 
      1  -0.543891D+00 -0.388369D+00  0.601611D+00  0.116519D+01 -0.119142D+01
      2  -0.388369D+00  0.532408D+00  0.598855D+00 -0.119142D+01  0.258751D+01
      3   0.601611D+00  0.598855D+00  0.942439D+00 -0.332203D+00  0.169712D+01
               231           232           233           234           235 
      1  -0.332203D+00  0.296519D+01 -0.592601D+00 -0.135974D+01 -0.945399D+01
      2   0.169712D+01 -0.592601D+00  0.212918D+01  0.283484D+01 -0.199920D+01
      3   0.229797D+01 -0.135974D+01  0.283484D+01  0.679483D+01  0.771705D+00
               236           237           238           239           240 
      1  -0.199920D+01  0.771705D+00 -0.474223D+01 -0.183274D+01  0.639236D+00
      2  -0.150671D+01  0.308955D+00 -0.183274D+01 -0.141057D+01  0.906101D-01
      3   0.308955D+00 -0.116591D+01  0.639236D+00  0.906101D-01 -0.619750D+00
               241           242           243 
      1   0.264794D+00  0.293704D+00 -0.115000D+01
      2   0.293704D+00 -0.706352D-01 -0.480447D-01
      3  -0.115000D+01 -0.480447D-01  0.576849D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.243702D+01  0.103622D+02  0.170495D+01  0.103993D+02  0.367400D+01
      2  -0.713244D+01  0.720956D+00  0.463997D+01  0.233521D+01 -0.105091D+02
      3  -0.105951D+01 -0.980874D+01  0.732718D+00 -0.518010D+01 -0.775768D+01
                 6             7             8             9            10 
      1  -0.755887D+01  0.213700D+01 -0.139621D+01 -0.316947D+01  0.616020D+01
      2  -0.704323D+01 -0.153661D+01 -0.607354D+01  0.668865D+01  0.255046D+02
      3  -0.303298D+00 -0.147977D+01 -0.557807D+00  0.424126D+01  0.455319D+01
                11            12            13            14            15 
      1  -0.483672D+01  0.194362D+01 -0.337478D+01 -0.565422D-01 -0.361681D+01
      2  -0.695994D+01  0.120501D+02 -0.155549D+02  0.489695D+01  0.236004D+01
      3   0.467282D+01  0.215891D+01  0.107121D+02  0.146453D+02 -0.129223D+01
                16            17            18            19            20 
      1   0.869250D+00  0.577207D+01 -0.948479D+00 -0.744911D+01  0.316070D+01
      2   0.141294D+02  0.204636D+01 -0.279604D+01 -0.273221D+02  0.377626D+01
      3   0.442496D+01 -0.163359D+00 -0.343131D+01 -0.617508D+01 -0.444957D+01
                21            22            23            24            25 
      1  -0.239297D+01  0.189934D+01  0.564287D+01 -0.109150D+01 -0.166777D+01
      2   0.650528D+00  0.121208D+02 -0.402792D+01  0.430478D+01 -0.190430D+02
      3   0.603060D+00  0.934507D+01 -0.929201D+00  0.104209D+01  0.810012D+00
                26            27            28            29            30 
      1   0.411651D+01 -0.302703D+01  0.702703D+01 -0.901762D+00  0.159508D+01
      2   0.306822D+01 -0.329802D+01  0.315118D+02 -0.948618D-03 -0.676884D+01
      3   0.102693D+01 -0.131031D+01  0.129629D+02  0.329042D+01 -0.262101D+01
                31            32            33            34            35 
      1   0.164172D+01 -0.331754D+01 -0.597163D+00 -0.223887D+01  0.260679D+01
      2  -0.681021D+01  0.133746D+01  0.603064D-01 -0.386722D+02 -0.507085D+00
      3   0.108726D+02  0.102556D+01 -0.522397D+00 -0.770663D+01 -0.184933D+01
                36            37            38            39            40 
      1   0.275724D+01 -0.241495D+01  0.113966D+00 -0.868607D-01  0.295723D+01
      2   0.811106D+01 -0.304942D+02 -0.219317D+01  0.103554D+02  0.689207D+01
      3   0.175664D+01 -0.231443D+02 -0.117080D+02  0.269974D+01  0.100987D+02
                41            42            43            44            45 
      1  -0.826824D+00 -0.336716D-01  0.824232D+01  0.475621D+01 -0.114526D+01
      2  -0.255169D+00 -0.634971D+00  0.160868D+02 -0.158931D+01 -0.834632D+01
      3  -0.464213D+01 -0.329196D+01  0.771226D+01 -0.780467D+00 -0.288647D+00
                46            47            48            49            50 
      1  -0.786680D+00  0.254649D+01 -0.172090D+01  0.311656D+01 -0.183715D+01
      2   0.529499D+01  0.489773D+01 -0.115836D+02  0.117526D+02  0.126433D+01
      3   0.627413D+01  0.380814D+01 -0.203564D+01  0.394215D+02  0.267683D+02
                51            52            53            54            55 
      1   0.431916D+01  0.442655D+01  0.762153D+01  0.350191D+01  0.200340D+01
      2  -0.760129D+01 -0.230383D+02 -0.954453D+00  0.387087D+01 -0.853400D+00
      3  -0.116489D+01  0.298108D+00  0.386757D+01  0.190404D+01 -0.321013D+01
                56            57            58            59            60 
      1  -0.336398D+00 -0.261974D+00 -0.707631D+00  0.345243D+00 -0.939278D+01
      2  -0.269132D+00  0.747165D+01 -0.110754D+02 -0.874583D+00  0.122125D+02
      3  -0.863225D+01 -0.142477D+01 -0.224581D+02 -0.424546D+02 -0.204301D+01
                61            62            63            64            65 
      1   0.573656D-01  0.109135D+01 -0.221589D+01 -0.501273D+01  0.349510D+01
      2   0.562750D+01  0.675328D+01  0.290593D+01 -0.103093D+02  0.101464D+02
      3  -0.444247D+01 -0.552607D+01 -0.775789D+01  0.180453D+01 -0.169079D+02
                66            67            68            69            70 
      1  -0.709683D+01  0.352620D+01 -0.294413D+01 -0.427076D+01 -0.994315D+01
      2  -0.895703D+01  0.909409D+01  0.616450D+00 -0.343233D+01 -0.168379D+02
      3  -0.550784D+01 -0.615236D+01 -0.186630D+02 -0.433668D+01 -0.442709D+01
                71            72            73            74            75 
      1   0.152545D+01  0.811905D+01 -0.401747D+01  0.319137D+01  0.373330D+01
      2  -0.253990D+00  0.111241D+02  0.217087D+01 -0.127836D+01 -0.828713D+01
      3  -0.432151D+01  0.901307D+01  0.801809D+01 -0.148640D+02  0.723006D+01
                76            77            78            79            80 
      1   0.205024D+01  0.326008D+01  0.388125D+00  0.757868D+01  0.621064D+01
      2  -0.461585D+01 -0.173116D+01 -0.566859D+01 -0.209675D+02 -0.824662D+01
      3  -0.795182D+01 -0.156357D+02 -0.410134D-02  0.782193D+01 -0.942927D+00
                81            82            83            84            85 
      1   0.187021D+01  0.502443D+01 -0.572069D+01 -0.256564D+01 -0.822695D+01
      2  -0.546947D+01 -0.451305D+01  0.250817D+01  0.252815D+01  0.505570D+01
      3   0.178231D+01 -0.116713D+02 -0.685547D+00 -0.849414D+01  0.721933D+01
                86            87            88            89            90 
      1  -0.987257D+01  0.814241D+00 -0.197215D+01  0.796838D+01  0.136112D+01
      2   0.393102D+01 -0.113576D+01 -0.179905D+01 -0.788046D-01 -0.305037D+00
      3   0.493698D+01  0.945356D+00 -0.115585D+02  0.303967D+00  0.599354D+01
                91            92            93            94            95 
      1   0.772287D+00  0.140994D+01  0.228230D+01  0.422195D+01 -0.326178D+01
      2  -0.463672D+01  0.527090D+01  0.109891D+02  0.672342D+01 -0.502674D+01
      3   0.191299D+02  0.238252D+01 -0.576725D+01  0.189269D+02 -0.140780D+02
                96            97            98            99           100 
      1   0.854735D+00 -0.593358D+01  0.838321D+01  0.166063D+01  0.362274D+01
      2   0.118816D+02 -0.930715D+01  0.203553D+02  0.149626D+02 -0.783685D+01
      3   0.186688D+01 -0.563957D+01  0.521406D+01 -0.162167D+02  0.371842D+01
               101           102           103           104           105 
      1  -0.210301D+00 -0.346398D+01  0.397893D+00  0.627704D+00 -0.158088D+01
      2  -0.146711D+01  0.893776D+01 -0.117732D+01 -0.167432D+01  0.176860D+01
      3  -0.393217D+01 -0.196741D+01 -0.221371D-01  0.693340D+00  0.150419D+01
               106           107           108           109           110 
      1  -0.369453D+01  0.183800D+00  0.395156D+01 -0.191035D+01 -0.170596D+00
      2   0.669054D+01  0.299686D+01 -0.872800D+01  0.292274D+01  0.214846D+01
      3  -0.363379D+01  0.484026D+01  0.500884D+00  0.169522D+00 -0.192096D+01
               111           112           113           114           115 
      1  -0.287400D+01 -0.147035D+01 -0.118626D+01 -0.261536D+01 -0.454927D+01
      2   0.688194D+01  0.159641D+01  0.438099D+01  0.455340D+01  0.880945D+01
      3  -0.266635D+00 -0.128351D+00 -0.268217D+01 -0.272618D+01 -0.215468D+00
               116           117           118           119           120 
      1   0.670117D+00 -0.776551D+01  0.770883D+00 -0.142676D+01 -0.415121D+00
      2   0.639192D+01  0.167711D+02  0.422180D+01 -0.111506D+01  0.115375D+01
      3  -0.679182D+01 -0.174221D+01  0.149755D+01 -0.161308D+01 -0.632009D+00
               121           122           123           124           125 
      1  -0.268315D+01 -0.108464D-01  0.547820D+00  0.932605D+00  0.393582D+01
      2  -0.475653D+01  0.473414D+00 -0.727830D+00 -0.335771D+01 -0.811098D+00
      3   0.105109D+01 -0.163184D+00  0.561048D+00 -0.803435D+00  0.157232D+01
               126           127           128           129           130 
      1   0.295524D+01 -0.310224D+01  0.181289D+01  0.401585D+01  0.167901D+01
      2  -0.440342D+01  0.236775D+01 -0.847588D+00 -0.420368D+00 -0.105523D+01
      3   0.113945D+01 -0.643823D+01  0.184685D+01  0.478867D+01  0.387596D+01
               131           132           133           134           135 
      1  -0.176821D+01 -0.352178D+01  0.293244D+01 -0.194571D+01 -0.831745D+01
      2   0.912077D+00  0.904100D+00 -0.323374D+01  0.179069D+01  0.248498D+01
      3  -0.505062D+01 -0.257233D+01  0.780741D+01 -0.396315D+01 -0.583450D+01
               136           137           138           139           140 
      1   0.213599D+00  0.479834D+00  0.491282D+00 -0.334976D+00  0.341433D+01
      2   0.638089D-01  0.245312D+00  0.399051D+00  0.898752D+00 -0.309147D+01
      3  -0.122390D+01  0.113239D+01 -0.467591D+00  0.459517D+01 -0.989276D+01
               141           142           143           144           145 
      1  -0.633185D+01  0.721075D+00 -0.357426D+01  0.666542D+01 -0.338985D+01
      2   0.229837D+01 -0.226411D+01  0.325227D+01 -0.330653D+01  0.627069D+01
      3   0.441605D+01 -0.252096D+01  0.563910D+01 -0.537724D+01  0.723326D+01
               146           147           148           149           150 
      1  -0.534034D+01 -0.127662D+01 -0.447751D+01 -0.928590D+01 -0.184704D+01
      2   0.431642D+01 -0.110233D+01  0.500193D+01  0.739843D+01 -0.183356D+01
      3   0.519423D+01 -0.115498D+01  0.809721D+01  0.107717D+02 -0.259252D+01
               151           152           153           154           155 
      1  -0.101517D+01  0.692078D+00 -0.139437D+01  0.403919D+01 -0.545034D+01
      2  -0.134972D+01 -0.763163D+00  0.636363D+00  0.943899D+01 -0.404522D+01
      3   0.110085D+01  0.215653D+00  0.141198D+01 -0.346032D+00  0.226047D+00
               156           157           158           159           160 
      1  -0.207815D+01 -0.451727D+01  0.751729D+01  0.216999D+01 -0.219799D+01
      2  -0.378181D+01 -0.624118D+01  0.565950D+01  0.533731D+01 -0.513637D+01
      3  -0.172894D+00  0.244537D+01 -0.103798D+01 -0.797283D+00  0.338952D+00
               161           162           163           164           165 
      1   0.433429D+01  0.377718D+01  0.105037D+01  0.195928D+01  0.215245D+01
      2   0.364092D+01  0.549720D+01 -0.333225D+01 -0.590931D+00  0.416066D+01
      3  -0.129654D+00 -0.103218D+01 -0.194820D+01 -0.282080D+01 -0.148628D+00
               166           167           168           169           170 
      1   0.264833D+00 -0.962727D+00  0.203182D+00  0.116884D+01  0.261890D+01
      2   0.750980D+00  0.141607D+01  0.141794D+00 -0.293288D+01 -0.303619D-01
      3   0.300862D+00  0.180366D+01 -0.133197D+01 -0.168590D+01 -0.176773D+01
               171           172           173           174           175 
      1   0.276141D+01 -0.255487D+01 -0.118763D+01  0.394089D+01 -0.852320D+00
      2   0.335636D+01 -0.309284D+01 -0.702861D+00  0.684754D+01 -0.112268D+01
      3  -0.761498D+00 -0.267212D+01 -0.113057D+01  0.320627D+01 -0.326042D-01
               176           177           178           179           180 
      1  -0.241481D+01  0.196901D+01  0.473937D+01  0.425556D+01 -0.108599D+02
      2  -0.251354D+01  0.439549D+01  0.547444D+01  0.648185D+00 -0.194052D+02
      3  -0.199361D+01  0.341482D+01  0.336729D+01  0.565507D+01 -0.485666D+01
               181           182           183           184           185 
      1   0.856467D+00  0.426427D+00 -0.167986D+01  0.306274D+00  0.235311D+01
      2  -0.106526D+01 -0.290346D+01 -0.655789D+00 -0.205571D+01 -0.435012D+01
      3   0.780658D+01  0.117391D+02  0.226184D+01  0.795624D+01  0.263323D+02
               186           187           188           189           190 
      1  -0.378061D+01  0.253306D+00 -0.136554D-01 -0.127577D+01  0.520614D+01
      2  -0.293867D+01 -0.438541D+00 -0.301204D+01 -0.222982D+01  0.988145D+01
      3   0.447077D+01  0.152152D+01  0.349013D+01  0.300156D+01 -0.359726D+01
               191           192           193           194           195 
      1  -0.188886D+01  0.457814D+01 -0.226201D+01  0.164003D+01 -0.177273D+01
      2  -0.429584D+01  0.995853D+01 -0.359451D+01  0.282516D+01 -0.183712D+01
      3  -0.362091D+01 -0.628716D+00 -0.537069D+00  0.396797D+01 -0.517518D+00
               196           197           198           199           200 
      1   0.421027D+01 -0.450840D+00  0.353946D+01 -0.844291D+00  0.645437D+00
      2   0.805537D+01 -0.289681D+01  0.768976D+01  0.554450D+00 -0.644309D+00
      3  -0.476853D+00 -0.380897D+01 -0.114854D+01  0.139794D+01  0.103083D+00
               201           202           203           204           205 
      1  -0.637146D+00  0.110998D+01  0.532195D+01 -0.250598D+01 -0.574345D+01
      2  -0.517390D-01 -0.228378D+01 -0.427733D+00  0.149815D+01 -0.158330D+01
      3  -0.433647D-01  0.433937D+01 -0.310109D+01  0.236576D+00  0.145285D+01
               206           207           208           209           210 
      1   0.114860D+01  0.408835D+00 -0.166234D+01  0.122218D+00  0.183608D+00
      2   0.105546D+01 -0.523298D-01 -0.364876D+01  0.227625D+00  0.551337D+00
      3  -0.140344D+00 -0.137473D+01  0.332148D+01  0.160320D+01  0.165606D+00
               211           212           213           214           215 
      1   0.157166D+01 -0.842060D+00 -0.381963D+01 -0.579103D+01  0.295086D+00
      2   0.223668D+01 -0.291428D+01 -0.249764D+01 -0.886340D+01 -0.150613D+01
      3   0.439564D+01  0.109678D+02  0.216013D+01  0.111854D+01  0.223371D+01
               216           217           218           219           220 
      1   0.654718D-01  0.289302D+00 -0.821491D+00  0.628181D+00 -0.238976D+01
      2   0.517205D+00  0.146004D+01 -0.222972D+01  0.258888D+01 -0.354784D+01
      3   0.118245D+01  0.449359D+00 -0.326917D+01  0.166224D+01 -0.785661D+01
               221           222           223           224           225 
      1   0.453602D+01 -0.433619D+01  0.241198D+01 -0.265156D+01  0.328511D+01
      2   0.950308D+01 -0.968187D+01  0.666396D+01 -0.109962D+02  0.800723D+01
      3   0.231436D+02 -0.713589D+01  0.422819D+01 -0.118021D+02  0.885533D+01
               226           227           228           229           230 
      1   0.292013D+00 -0.217242D+00 -0.972528D+00  0.684466D-02 -0.284692D-01
      2  -0.574262D+00 -0.335147D+01 -0.466993D+01  0.249302D+00 -0.748773D+01
      3  -0.562554D+00  0.828183D+00  0.285628D+01 -0.256589D+01  0.941642D+01
               231           232           233           234           235 
      1  -0.225567D+01  0.153838D+01  0.700089D-01 -0.512949D+01 -0.174612D+01
      2  -0.988969D+01  0.392409D+01 -0.130043D+02 -0.296672D+02  0.411978D+00
      3   0.675242D+01  0.943245D+00  0.837423D+01  0.109483D+02 -0.147358D+02
               236           237           238           239           240 
      1  -0.121671D+01  0.272936D+00 -0.111677D+01 -0.809269D+00 -0.742659D+00
      2  -0.270696D+00  0.651988D+01 -0.816802D+00  0.268925D+00  0.320611D+01
      3  -0.102875D+02  0.187552D+01 -0.840605D+01 -0.794398D+01  0.526102D+00
               241           242           243 
      1   0.975169D+00  0.600074D+00 -0.339340D+00
      2   0.253799D+01  0.277228D+00 -0.188031D+01
      3   0.164435D+01  0.112250D+00 -0.598344D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.512291D+01  0.479442D+01 -0.779190D+01  0.232252D+01  0.187611D+02
      2   0.694225D+01 -0.176598D+02  0.115920D+02 -0.139748D+02 -0.119580D+02
      3  -0.120652D+02  0.128654D+02 -0.380006D+01  0.116523D+02 -0.680314D+01
      4   0.712315D+01  0.786142D+01  0.121476D+02  0.960650D+01 -0.874290D+00
      5  -0.206657D+02  0.114161D+02 -0.248890D+02  0.108690D+02  0.407291D+01
      6   0.655044D+01  0.683916D+01  0.116295D+02  0.738179D+01  0.622437D+01
                 6             7             8             9            10 
      1   0.950378D+01 -0.528892D+01  0.121882D+02 -0.180925D+02 -0.119625D+01
      2   0.274311D+00  0.912814D+01 -0.199560D+01  0.930895D+01 -0.213310D+01
      3  -0.977809D+01 -0.383922D+01 -0.101926D+02  0.878356D+01  0.332935D+01
      4  -0.605091D+01  0.144148D+02 -0.621177D+01  0.270620D+01 -0.179307D+02
      5   0.105502D+01 -0.240381D+02  0.491375D+01 -0.792318D+01  0.909136D+01
      6  -0.243182D+01  0.109491D+02 -0.159132D+01 -0.630218D+01 -0.785164D+01
                11            12            13            14            15 
      1  -0.648745D+01  0.155924D+01  0.219545D+01 -0.226648D+02 -0.905804D+01
      2   0.946773D+01 -0.136841D+01  0.388701D+00  0.100006D+02  0.190893D+01
      3  -0.298029D+01 -0.190832D+00 -0.258415D+01  0.126642D+02  0.714911D+01
      4  -0.131213D+02 -0.120985D+02 -0.148746D+02 -0.211416D+02  0.570669D+01
      5  -0.105923D+02  0.133279D+02 -0.114711D+02  0.946793D+00  0.607814D+01
      6   0.656609D+01 -0.210632D+01  0.221813D+01 -0.939104D+01 -0.123857D+01
                16            17            18            19            20 
      1   0.289743D+01 -0.146967D+02  0.140396D+02  0.311427D+02  0.104315D+02
      2   0.424468D+01  0.534824D+01 -0.100092D+02 -0.125099D+02 -0.100689D+02
      3  -0.714212D+01  0.934842D+01 -0.403040D+01 -0.186328D+02 -0.362576D+00
      4  -0.204033D+02  0.113181D+02  0.150994D+01  0.229660D+02 -0.463369D+01
      5   0.203526D+02  0.213162D+01 -0.886813D+01  0.111867D+02  0.267415D+01
      6  -0.277583D+01 -0.720763D+00  0.757171D+01  0.823754D+01  0.116971D+01
                21            22            23            24            25 
      1  -0.441440D+01  0.370825D+01  0.267087D+01  0.315683D+01 -0.196267D+02
      2  -0.260499D+01 -0.410913D+01 -0.687721D+01 -0.118711D+01 -0.687378D+01
      3   0.701940D+01  0.400880D+00  0.420634D+01 -0.196972D+01  0.265004D+02
      4   0.448319D+01 -0.672868D+01 -0.308725D+01 -0.483919D+01  0.118694D+02
      5  -0.620402D+01  0.509799D+01 -0.113425D+01  0.323374D+01 -0.174898D+02
      6  -0.190657D+00  0.150401D+01  0.375550D+01  0.298657D+01 -0.234657D+01
                26            27            28            29            30 
      1   0.708380D+01  0.103743D+02 -0.110633D+03 -0.201480D+01  0.777871D+01
      2  -0.528577D+01  0.126918D+02  0.427172D+02 -0.930360D+00 -0.258654D+01
      3  -0.179802D+01 -0.230661D+02  0.679155D+02  0.294516D+01 -0.519217D+01
      4  -0.882624D+01  0.275569D+01 -0.157869D+02 -0.797573D+01  0.176541D+01
      5   0.303750D+01  0.153802D+02 -0.982850D+01  0.156812D+01 -0.794382D+01
      6   0.328342D+01 -0.905910D+00 -0.777347D+01 -0.297854D+01  0.126379D+01
                31            32            33            34            35 
      1   0.389464D+02  0.312805D+01  0.296166D+01  0.367972D+02  0.689803D+01
      2  -0.174420D+02 -0.267460D+01 -0.185883D+01 -0.816125D+01 -0.504920D+01
      3  -0.215044D+02 -0.453449D+00 -0.110282D+01 -0.286360D+02 -0.184883D+01
      4   0.933090D+00 -0.328454D+01 -0.174274D+01  0.302251D+01  0.464824D+01
      5  -0.219608D+01 -0.272638D+01  0.841279D+00 -0.267813D+01 -0.135502D+01
      6  -0.128023D+01 -0.879787D+01 -0.176205D+01 -0.702916D+00  0.328382D+01
                36            37            38            39            40 
      1  -0.272470D+02  0.135577D+03  0.819825D+01 -0.132192D+02 -0.345672D+02
      2  -0.809148D+00 -0.483529D+02 -0.164410D+01  0.360673D+01  0.160009D+02
      3   0.280561D+02 -0.872244D+02 -0.655415D+01  0.961247D+01  0.185663D+02
      4  -0.186064D+01  0.237141D+02  0.194247D+02 -0.361065D+01  0.209421D+02
      5   0.887142D+01  0.540191D+01 -0.967821D+00  0.153853D+02 -0.719148D+00
      6  -0.266001D+01  0.775448D+01  0.264661D+01 -0.334926D+01  0.223628D+01
                41            42            43            44            45 
      1   0.947366D+01  0.701570D+01 -0.344517D+02  0.166926D+00  0.504735D+01
      2  -0.847803D+01 -0.304651D+01  0.151268D+02 -0.219884D+01 -0.679249D+01
      3  -0.995623D+00 -0.396919D+01  0.193249D+02  0.203191D+01  0.174514D+01
      4   0.726305D+01  0.297730D+01 -0.107638D+02  0.155722D+01 -0.280536D+01
      5   0.542753D+01 -0.492796D+01  0.245118D+02 -0.405654D+01 -0.518933D+01
      6  -0.269956D+01  0.391275D+01 -0.100431D+02  0.548611D+01 -0.662650D+00
                46            47            48            49            50 
      1  -0.583926D+02  0.423982D+01  0.422763D+01 -0.471835D+02 -0.184270D+02
      2   0.165050D+02 -0.528445D+01 -0.542291D+01  0.660409D+01 -0.450493D+01
      3   0.418876D+02  0.104463D+01  0.119528D+01  0.405794D+02  0.229320D+02
      4  -0.123120D+02 -0.196183D+02 -0.211962D+01 -0.680124D+02 -0.484869D+02
      5   0.362445D+01 -0.579883D+01 -0.145680D+02 -0.199773D+02 -0.756322D+01
      6  -0.971340D+01  0.181052D+01  0.234380D+01 -0.816042D+01 -0.554987D+01
                51            52            53            54            55 
      1  -0.205312D+01  0.185133D+01 -0.661295D+01 -0.274662D+01  0.347916D+02
      2   0.440539D+01 -0.467858D+01 -0.696418D+00 -0.397006D+01 -0.139616D+02
      3  -0.235227D+01  0.282725D+01  0.730937D+01  0.671668D+01 -0.208300D+02
      4  -0.178374D+01 -0.180251D+02 -0.499510D+01 -0.429361D+01  0.262495D+02
      5  -0.646494D+01  0.125405D+01 -0.499739D+01  0.112331D+01  0.724423D+01
      6  -0.648776D+01  0.803974D+00  0.346982D+01 -0.476541D+01  0.226771D+01
                56            57            58            59            60 
      1   0.132361D+02  0.212135D+01  0.708283D+02  0.361047D+01 -0.449609D+01
      2  -0.329750D+01 -0.243266D+00 -0.171922D+02  0.299528D+02  0.800190D+00
      3  -0.993865D+01 -0.187809D+01 -0.536361D+02 -0.335633D+02  0.369590D+01
      4   0.245973D+02  0.383152D+01  0.737485D+02  0.821681D+02  0.575583D+01
      5   0.509402D+01  0.124928D+02  0.101293D+02  0.119873D+02  0.175655D+02
      6   0.145185D+01  0.227360D+01  0.923207D+01  0.655217D+01  0.147210D+02
                61            62            63            64            65 
      1   0.177667D+02  0.298795D+01 -0.184057D+00 -0.263381D+02  0.233587D+02
      2  -0.645306D+01 -0.594149D+00 -0.829850D-01  0.105889D+02 -0.219970D+02
      3  -0.113136D+02 -0.239380D+01  0.267042D+00  0.157493D+02 -0.136173D+01
      4   0.147126D+02  0.935513D+01  0.197081D+02  0.193728D+02  0.986297D+01
      5   0.212128D+02  0.195701D+02  0.990061D+01 -0.157671D+02  0.158770D+02
      6   0.950571D+01  0.135230D+02  0.609210D+01  0.103162D+02 -0.131741D+02
                66            67            68            69            70 
      1  -0.119450D+02  0.159003D+02  0.292215D+02  0.183704D+02 -0.189563D+02
      2  -0.384071D+01 -0.134795D+02 -0.256529D+02 -0.124703D+02 -0.289113D+01
      3   0.157857D+02 -0.242076D+01 -0.356854D+01 -0.590001D+01  0.218474D+02
      4   0.201636D+02  0.104421D+02  0.510287D+01 -0.725382D+01  0.257110D+02
      5  -0.180863D+02  0.173992D+02 -0.538382D+01 -0.110060D+02 -0.241786D+02
      6   0.555329D+01 -0.105508D+02 -0.170968D+01  0.314018D+01  0.743633D+01
                71            72            73            74            75 
      1   0.209917D+02 -0.230567D+02  0.151147D+01 -0.139392D+02  0.208519D+02
      2  -0.121777D+02  0.231323D+02 -0.222474D+01  0.104835D+02 -0.120834D+02
      3  -0.881405D+01 -0.756104D-01  0.713274D+00  0.345568D+01 -0.876850D+01
      4  -0.107445D+02  0.378291D+00 -0.115116D+02  0.199410D+01  0.357320D+01
      5  -0.575118D+01  0.270223D+02  0.113253D+02 -0.211223D+01 -0.193463D+02
      6   0.328387D+01 -0.520595D+01  0.465654D+01 -0.606367D+01 -0.685634D+01
                76            77            78            79            80 
      1  -0.176183D+02  0.120371D+02 -0.482016D+01  0.228599D+02 -0.353148D+00
      2   0.172460D+02  0.243832D+01  0.417118D+01 -0.131195D+02  0.613758D+00
      3   0.372320D+00 -0.144754D+02  0.648985D+00 -0.974039D+01 -0.260610D+00
      4   0.102393D+02  0.361015D+02 -0.388863D+01 -0.123299D+01 -0.864544D+01
      5  -0.878096D+01  0.187529D+01 -0.119877D+02 -0.319341D+02 -0.157500D+02
      6  -0.309799D+01  0.915579D+00 -0.453020D+01 -0.131830D+02 -0.700637D+01
                81            82            83            84            85 
      1  -0.191581D+02 -0.170799D+02 -0.207568D+01 -0.139425D+02 -0.189955D+00
      2   0.126321D+02  0.149053D+02  0.716929D+01  0.130287D+02  0.365054D+01
      3   0.652593D+01  0.217456D+01 -0.509361D+01  0.913823D+00 -0.346059D+01
      4  -0.204051D+02 -0.124380D+01  0.976769D+01 -0.441099D+01  0.920696D+01
      5  -0.103026D+02 -0.673581D+01  0.202496D+01  0.148728D+01  0.517335D+01
      6  -0.865591D+01 -0.101937D+02  0.554438D+01  0.353924D+01  0.316691D+01
                86            87            88            89            90 
      1   0.959221D+01 -0.619233D+01 -0.163025D+02 -0.115677D+02  0.130966D+02
      2  -0.419774D+01  0.989930D+01  0.152818D+02  0.181174D+02 -0.148751D+02
      3  -0.539447D+01 -0.370697D+01  0.102064D+01 -0.654975D+01  0.177853D+01
      4  -0.127423D+01  0.119610D+02 -0.357805D+01  0.172060D+02 -0.881806D+00
      5   0.625023D+01 -0.241883D+01  0.310192D+01 -0.362311D+01  0.273066D+00
      6   0.168845D+02 -0.128254D+02  0.419917D+01 -0.174804D+02  0.218543D+01
                91            92            93            94            95 
      1  -0.272566D+02 -0.356890D+02 -0.374971D+00 -0.517095D+02 -0.143673D+02
      2   0.158364D+02  0.191837D+02  0.182950D+01  0.279538D+02  0.467922D+01
      3   0.114202D+02  0.165053D+02 -0.145453D+01  0.237557D+02  0.968807D+01
      4  -0.413150D+02  0.100876D+01  0.135363D+02 -0.177424D+02  0.270995D+02
      5  -0.564454D+01  0.147571D+02  0.125426D+02  0.160044D+02 -0.910158D+01
      6   0.605782D+01 -0.353533D+01 -0.532463D+01 -0.369285D+01  0.562916D+01
                96            97            98            99           100 
      1   0.139710D+02 -0.955128D+01  0.152797D+02  0.137855D+02  0.485913D+02
      2  -0.172414D+00  0.397159D+00  0.240553D+01 -0.421501D+01 -0.240962D+02
      3  -0.137986D+02  0.915412D+01 -0.176852D+02 -0.957052D+01 -0.244951D+02
      4  -0.958688D+01  0.167590D+02 -0.158291D+02  0.265207D+02  0.248976D+02
      5   0.212064D+02 -0.881266D+00  0.284402D+02  0.209288D+02 -0.214101D+02
      6  -0.599335D+01  0.211396D+01 -0.981927D+01 -0.831133D+01 -0.575785D+01
               101           102           103           104           105 
      1   0.101410D+02 -0.178775D+02  0.441957D+01  0.464364D+01 -0.332594D-01
      2  -0.274633D+01  0.955614D+01 -0.203654D+00 -0.838973D+00 -0.148354D+01
      3  -0.739467D+01  0.832140D+01 -0.421591D+01 -0.380467D+01  0.151680D+01
      4   0.145443D+02 -0.831672D+01  0.112753D+02  0.496422D+01 -0.530737D+01
      5  -0.409561D+01  0.175761D+02 -0.205429D+01 -0.531764D+01  0.362163D+01
      6  -0.195282D+01  0.551804D+01 -0.226805D+01 -0.262361D+01  0.385189D+01
               106           107           108           109           110 
      1  -0.292553D+02 -0.357860D+01  0.152212D+02  0.185607D+02  0.766015D+01
      2   0.159986D+02 -0.739982D+00 -0.109942D+02 -0.104069D+02 -0.344893D+01
      3   0.132567D+02  0.431858D+01 -0.422695D+01 -0.815378D+01 -0.421122D+01
      4  -0.150481D+02 -0.113308D+02  0.122047D+02  0.165055D+02  0.103442D+02
      5   0.235047D+02  0.779385D+01 -0.191095D+02  0.150892D+02  0.667228D+01
      6   0.747187D+01  0.499092D+01 -0.637470D+01  0.701241D+01  0.431210D+01
               111           112           113           114           115 
      1   0.682271D+01  0.618134D+01 -0.127399D+01  0.244876D+00  0.141766D+02
      2  -0.486033D+01 -0.185303D+01  0.383057D+01  0.139200D+01 -0.105032D+02
      3  -0.196238D+01 -0.432831D+01 -0.255658D+01 -0.163687D+01 -0.367347D+01
      4   0.838274D+01  0.128420D+02  0.102060D+02  0.109090D+02  0.189359D+02
      5   0.167079D+02  0.735815D+01  0.956663D+01  0.935562D+01  0.291497D+02
      6   0.634979D+01  0.607522D+01  0.750485D+01  0.884545D+01  0.134253D+02
               116           117           118           119           120 
      1   0.145750D+01  0.626262D+01 -0.122509D+01 -0.164315D+00  0.144014D+01
      2   0.113855D+01 -0.122344D+02 -0.572553D+01  0.965815D+00  0.462628D+01
      3  -0.259604D+01  0.597178D+01  0.695061D+01 -0.801501D+00 -0.606642D+01
      4   0.189226D+02  0.192250D+02 -0.194673D+01  0.369968D+01 -0.414602D+00
      5   0.152286D+02  0.354060D+02 -0.942024D+01  0.612175D+00  0.117684D+02
      6   0.124737D+02  0.184154D+02 -0.448888D+00 -0.130904D+01  0.215276D+00
               121           122           123           124           125 
      1   0.512066D+01 -0.398120D+01 -0.234702D+01  0.852699D+01  0.311975D+00
      2  -0.119006D+01 -0.351529D+00 -0.126650D+01  0.608805D+01 -0.295284D+01
      3  -0.393060D+01  0.433273D+01  0.361352D+01 -0.146150D+02  0.264086D+01
      4   0.535791D+01  0.660153D+00 -0.299691D+01 -0.439359D+00 -0.362348D+01
      5   0.177450D+01 -0.305080D+01 -0.171279D+01  0.176175D+02 -0.174571D+01
      6  -0.160534D+01  0.132283D+01  0.642487D+01  0.187042D+01  0.464411D+01
               126           127           128           129           130 
      1  -0.225844D+02 -0.368536D+01  0.763435D+01  0.556392D+01  0.482249D+01
      2  -0.182944D+02  0.325505D+01 -0.987951D+01 -0.488056D+01 -0.562998D+01
      3   0.408788D+02  0.430312D+00  0.224516D+01 -0.683363D+00  0.807496D+00
      4  -0.109251D+01 -0.522011D+01  0.105367D+01  0.309520D+01  0.249924D+01
      5  -0.234882D+02  0.219630D+00 -0.358717D+00 -0.526248D+00 -0.305456D+00
      6  -0.939894D+00  0.625427D+01 -0.398476D+01 -0.604546D+01 -0.263212D+01
               131           132           133           134           135 
      1  -0.115500D+02 -0.452956D+01  0.885728D+01 -0.897215D+01 -0.126392D+02
      2   0.134712D+02  0.453813D+01 -0.610478D+01  0.102090D+02  0.820992D+01
      3  -0.192124D+01 -0.856933D-02 -0.275250D+01 -0.123687D+01  0.442931D+01
      4  -0.845880D+00 -0.113723D+01  0.601394D+01 -0.323186D+00 -0.195739D+01
      5   0.458236D+00  0.118708D+01  0.223366D+00  0.184785D+01  0.330134D+01
      6   0.436892D+01  0.805179D+01 -0.506844D+01  0.106755D+02  0.126490D+02
               136           137           138           139           140 
      1  -0.146332D+01  0.387930D+01 -0.796032D+00  0.276178D+01 -0.307411D+02
      2   0.291039D+01 -0.255775D+01 -0.629272D-01 -0.511381D+00  0.408746D+02
      3  -0.144707D+01 -0.132154D+01  0.858959D+00 -0.225040D+01 -0.101335D+02
      4   0.420049D+01  0.694894D+01 -0.283276D+01  0.751020D+01  0.182850D+02
      5  -0.862911D+00 -0.261615D+01  0.309170D+01 -0.207174D+01 -0.822824D+01
      6  -0.327243D+01 -0.301497D+00 -0.745530D+00 -0.962305D+00 -0.256488D+02
               141           142           143           144           145 
      1   0.147918D+02 -0.420772D+00  0.210727D+02 -0.174983D+02 -0.706530D+01
      2  -0.161684D+02 -0.163105D+01 -0.226820D+02  0.124378D+02  0.624506D+01
      3   0.137656D+01  0.205182D+01  0.160931D+01  0.506049D+01  0.820240D+00
      4  -0.848592D+01 -0.441983D+01 -0.126708D+02  0.765174D+01  0.193949D+01
      5   0.554689D+01  0.288795D+01  0.844480D+01 -0.745840D+01 -0.328356D+01
      6   0.182945D+02  0.657593D-01  0.237745D+02 -0.205591D+02 -0.495725D+01
               146           147           148           149           150 
      1  -0.103587D+02  0.594212D+01 -0.827724D+01 -0.218916D+02  0.660764D+01
      2   0.116111D+02 -0.185800D+01  0.965207D+01  0.256478D+02 -0.173051D+01
      3  -0.125243D+01 -0.408413D+01 -0.137483D+01 -0.375621D+01 -0.487713D+01
      4  -0.591863D+00 -0.741253D+00  0.173035D+01 -0.800888D+01  0.245474D+01
      5  -0.412108D+01  0.236235D+01 -0.590457D+01 -0.261752D+01 -0.256543D+01
      6  -0.919855D+01  0.355862D+01 -0.617047D+01 -0.178664D+02  0.902157D+01
               151           152           153           154           155 
      1   0.170910D+01  0.495437D+00 -0.181248D+01 -0.666140D+01  0.301678D+01
      2  -0.215094D-02  0.198756D+01  0.106503D+01 -0.184209D+01  0.277520D+01
      3  -0.170695D+01 -0.248300D+01  0.747449D+00  0.850349D+01 -0.579198D+01
      4  -0.793140D+00 -0.564408D+00 -0.575310D+00  0.277010D+01 -0.302607D+01
      5   0.251756D+01 -0.564445D+00 -0.237125D+00 -0.247697D+01  0.887550D+00
      6   0.147028D+01  0.468661D+01 -0.152377D+01  0.255008D+01 -0.559503D+01
               156           157           158           159           160 
      1   0.965291D+01  0.469135D+01 -0.887641D+01 -0.990287D+01  0.586006D+01
      2   0.234127D+01  0.116383D+01  0.197150D+01 -0.415449D+01  0.135893D+01
      3  -0.119942D+02 -0.585518D+01  0.690491D+01  0.140574D+02 -0.721899D+01
      4  -0.307991D+01 -0.331276D+01  0.643634D+01  0.365836D+01 -0.308562D+01
      5   0.328381D+01  0.227581D+01 -0.965710D+00  0.351043D+01  0.513168D+01
      6  -0.285268D+01 -0.432435D+01  0.835869D+01  0.522561D+01 -0.307049D+01
               161           162           163           164           165 
      1  -0.602733D+01 -0.963933D+01  0.168464D+02 -0.137490D+01  0.335296D+01
      2  -0.216076D+01 -0.636608D+01 -0.180243D+02  0.288543D+01 -0.155253D+02
      3   0.818809D+01  0.160054D+02  0.117796D+01 -0.151054D+01  0.121723D+02
      4   0.277165D+01  0.353882D+01 -0.127899D+02  0.958142D+01 -0.969077D+01
      5  -0.223266D+00  0.177848D+01  0.327415D+02 -0.972990D+01  0.310509D+02
      6   0.559522D+01  0.434659D+01 -0.782832D+01  0.721094D+01 -0.959008D+01
               166           167           168           169           170 
      1  -0.883873D+00 -0.149161D+01  0.995225D+00  0.441898D+01  0.853988D+00
      2   0.158354D+01  0.160020D+00  0.384791D+00 -0.129442D+02  0.167882D+01
      3  -0.699667D+00  0.133159D+01 -0.138002D+01  0.852521D+01 -0.253281D+01
      4   0.673020D+01 -0.535805D+01  0.658267D+01 -0.781897D+01  0.607984D+01
      5  -0.546426D+01  0.672090D+01 -0.522666D+01  0.248977D+02 -0.783946D+01
      6   0.462602D+01 -0.547899D+01  0.740127D+01 -0.721636D+01  0.718308D+01
               171           172           173           174           175 
      1  -0.215314D+01  0.167215D+02 -0.153629D+01 -0.970446D+01  0.600762D+01
      2  -0.168605D+02 -0.122767D+02  0.600674D+00  0.105638D+02 -0.420329D+01
      3   0.190137D+02 -0.444479D+01  0.935616D+00 -0.859299D+00 -0.180432D+01
      4  -0.815198D+01 -0.491979D+01  0.302082D+01  0.710383D+00  0.751697D+00
      5   0.292281D+02 -0.144298D+02 -0.155115D+01  0.192379D+02 -0.694275D+01
      6  -0.100159D+02  0.255933D+01 -0.204883D+00 -0.506257D+01  0.310650D+00
               176           177           178           179           180 
      1  -0.172102D+01 -0.480520D+01 -0.145465D+02 -0.252934D+01  0.974813D+01
      2  -0.120105D+00  0.735581D+01  0.148586D+02  0.504684D+01 -0.240406D+02
      3   0.184112D+01 -0.255061D+01 -0.312138D+00 -0.251750D+01  0.142925D+02
      4   0.418629D+01 -0.463180D+01  0.412057D+01 -0.890697D+01 -0.339648D+01
      5  -0.500594D+01  0.971775D+01  0.269275D+02  0.205626D+00 -0.458553D+02
      6  -0.462334D+00  0.155648D+01 -0.728348D+01  0.495505D+01  0.140690D+02
               181           182           183           184           185 
      1  -0.730561D+01 -0.180403D+02 -0.185650D+01 -0.133710D+02 -0.324178D+02
      2   0.728361D+01  0.199303D+02  0.217690D+01  0.940351D+01  0.445834D+02
      3   0.219919D-01 -0.189006D+01 -0.320392D+00  0.396751D+01 -0.121656D+02
      4   0.549275D+00 -0.784014D+01 -0.348419D+01  0.526352D+01 -0.303389D+02
      5   0.288707D+01 -0.208188D+01 -0.107110D+01  0.762079D+00 -0.343685D+01
      6   0.792427D+00  0.579896D+01  0.418392D+01  0.201932D+01  0.122140D+02
               186           187           188           189           190 
      1  -0.673142D+01  0.456643D+00 -0.665509D+01 -0.330973D+01  0.633344D+02
      2   0.601483D+01  0.109995D+01  0.489789D+01  0.247035D+01 -0.265030D+02
      3   0.716595D+00 -0.155659D+01  0.175720D+01  0.839374D+00 -0.368315D+02
      4  -0.439185D+01 -0.223544D+01 -0.212772D+01 -0.361930D+01 -0.374150D+02
      5  -0.484237D+01  0.310939D+01 -0.376459D+01 -0.449175D+01  0.152905D+02
      6   0.855458D+01  0.632120D+00  0.782955D+01  0.412599D+01 -0.684270D+01
               191           192           193           194           195 
      1  -0.180909D+02  0.154198D+02 -0.107825D+02  0.507084D+01 -0.396288D+01
      2   0.391278D+01 -0.549418D+01  0.621280D+00  0.377963D+01  0.396282D+00
      3   0.141781D+02 -0.992559D+01  0.101612D+02 -0.885047D+01  0.356660D+01
      4   0.211454D+02 -0.987198D+01  0.174852D+02 -0.145250D+02  0.635728D+01
      5  -0.557438D+01  0.157802D+02 -0.461137D+01  0.467014D+01 -0.206365D+01
      6   0.356467D+01 -0.672246D+01  0.337207D+01 -0.164062D+01  0.293032D+01
               196           197           198           199           200 
      1   0.294543D+02 -0.890133D+01  0.131151D+02  0.574407D+00 -0.182854D+00
      2  -0.110511D+02  0.667433D+00 -0.817070D+01 -0.119529D+01  0.465918D+00
      3  -0.184031D+02  0.823390D+01 -0.494444D+01  0.620886D+00 -0.283064D+00
      4  -0.213179D+02  0.157247D+02 -0.890473D+01  0.576512D+00  0.263935D+01
      5   0.183532D+02 -0.585287D+01  0.132270D+02  0.462583D+00  0.149105D+01
      6  -0.780789D+01  0.404727D+01 -0.660453D+01  0.268352D+01  0.564830D+00
               201           202           203           204           205 
      1   0.870970D+00  0.480725D+01 -0.171242D+02 -0.771178D+01  0.187881D+01
      2  -0.577154D+00 -0.302240D+01  0.160090D+02  0.317216D+01 -0.338134D+01
      3  -0.293815D+00 -0.178484D+01  0.111522D+01  0.453961D+01  0.150253D+01
      4   0.109351D+01  0.219230D+01  0.496928D+01  0.186247D+01  0.185144D+01
      5   0.154966D+01  0.122216D+01  0.263238D+01  0.225687D+01  0.196807D+01
      6   0.760703D+00 -0.647613D+00  0.113197D+02  0.734164D+01  0.199155D+01
               206           207           208           209           210 
      1  -0.515983D+01 -0.244434D+01  0.100548D+01 -0.406216D+01 -0.154231D+01
      2   0.231084D+01  0.129269D+01  0.127807D+01  0.247136D+01  0.660384D+00
      3   0.284899D+01  0.115166D+01 -0.228354D+01  0.159080D+01  0.881929D+00
      4   0.668603D+00  0.113323D+01 -0.342528D+01  0.340639D+01  0.129011D+01
      5   0.194866D+01  0.101364D+01 -0.207974D+01  0.959340D+00  0.593035D+00
      6   0.525343D+01  0.413274D+01  0.731997D+00 -0.960458D+00 -0.449176D-01
               211           212           213           214           215 
      1  -0.384858D+01 -0.143087D+02 -0.197661D+01 -0.292313D+01 -0.215716D+01
      2   0.670746D+00  0.209322D+02  0.252834D+01 -0.290108D+00  0.353058D+01
      3   0.317784D+01 -0.662351D+01 -0.551734D+00  0.321323D+01 -0.137343D+01
      4   0.632558D+01 -0.174985D+02 -0.331005D+01  0.375179D+01 -0.456049D+01
      5   0.183384D+01 -0.253340D+01 -0.273581D+01 -0.209037D+01 -0.153115D+01
      6  -0.114530D+01  0.126337D+01  0.412761D+01  0.191708D+01  0.252562D+01
               216           217           218           219           220 
      1  -0.301288D+01  0.156818D+02 -0.614915D+01  0.615763D+01 -0.198848D+02
      2   0.248172D+01 -0.522989D+01  0.124155D+01 -0.244689D+01  0.465132D+01
      3   0.531160D+00 -0.104519D+02  0.490760D+01 -0.371074D+01  0.152335D+02
      4  -0.211209D+01 -0.745062D+01  0.985890D+01 -0.638552D+01  0.296002D+02
      5  -0.967020D+00  0.707983D+01 -0.570758D+01  0.394757D+01 -0.535897D+01
      6   0.156272D+01 -0.303125D+01  0.102294D+01 -0.495876D+00  0.285339D+01
               221           222           223           224           225 
      1   0.856814D+01 -0.366385D+00  0.187649D+02 -0.618308D+01  0.104174D+01
      2   0.103187D+02 -0.474861D+01 -0.703059D+01 -0.341107D+01  0.655867D-01
      3  -0.188868D+02  0.511500D+01 -0.117343D+02  0.959415D+01 -0.110733D+01
      4  -0.508888D+02  0.146939D+02 -0.170064D+02  0.255385D+02 -0.184574D+02
      5   0.159474D+02 -0.187941D+02  0.118875D+02 -0.196857D+02  0.165516D+02
      6  -0.711252D+01  0.747742D+01 -0.425907D+01  0.903911D+01 -0.667118D+01
               226           227           228           229           230 
      1   0.599224D+00 -0.540141D+00 -0.867039D+01 -0.686114D+01 -0.935262D+00
      2  -0.141033D+01  0.658167D-01  0.234765D+01  0.311051D+01  0.147806D+01
      3   0.811101D+00  0.474324D+00  0.632274D+01  0.375063D+01 -0.542794D+00
      4   0.335920D+01 -0.179347D+01 -0.220164D+01  0.115789D+02 -0.192570D+02
      5  -0.246884D+01 -0.284182D+01 -0.268013D+01  0.324594D+01 -0.118852D+02
      6   0.191939D+01  0.224684D+01  0.221802D+01 -0.158635D+01  0.726604D+01
               231           232           233           234           235 
      1  -0.547106D+01 -0.186106D+02 -0.564680D+01 -0.121035D+02  0.978333D+02
      2   0.123901D+01  0.122963D+02 -0.209264D+00 -0.903213D+01 -0.523708D+02
      3   0.423206D+01  0.631421D+01  0.585606D+01  0.211357D+02 -0.454625D+02
      4  -0.120174D+02  0.708178D+01 -0.151948D+02 -0.199676D+02  0.159340D+02
      5  -0.172905D+02  0.156578D+02 -0.215236D+02 -0.502597D+02 -0.120421D+02
      6   0.102559D+02 -0.366438D+01  0.118661D+02  0.167771D+02 -0.267314D+01
               236           237           238           239           240 
      1   0.199691D+02 -0.692234D+01  0.445376D+02  0.165645D+02 -0.461827D+01
      2  -0.116424D+02  0.517412D+01 -0.240357D+02 -0.761379D+01  0.272086D+01
      3  -0.832666D+01  0.174822D+01 -0.205018D+02 -0.895071D+01  0.189741D+01
      4   0.154853D+02 -0.262791D+01  0.191039D+02  0.143178D+02 -0.966564D+00
      5  -0.369863D+01  0.139334D+02 -0.728774D+01 -0.160513D+01  0.686034D+01
      6  -0.149087D+01 -0.208429D-01 -0.234339D+01 -0.241259D+01  0.195148D+01
               241           242           243 
      1  -0.269491D+01 -0.220399D+01  0.874757D+01
      2   0.288454D+01  0.744015D+00 -0.624367D+01
      3  -0.189624D+00  0.145997D+01 -0.250390D+01
      4  -0.207669D+01  0.764207D+00  0.114887D+01
      5   0.137177D+02  0.159179D+01 -0.532741D+01
      6   0.459313D+00  0.239315D+01  0.416549D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124577D+01      0.316643D+01      0.105621D+02
   x          0.753203D+00      0.191445D+01      0.638592D+01
   y          0.976112D+00      0.248103D+01      0.827583D+01
   z          0.178418D+00      0.453492D+00      0.151269D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.123244D+03      0.182628D+02      0.203201D+02
   aniso      0.550687D+02      0.816033D+01      0.907960D+01
   xx         0.157753D+03      0.233766D+02      0.260100D+02
   yx        -0.327875D+01     -0.485861D+00     -0.540593D+00
   yy         0.114652D+03      0.169897D+02      0.189036D+02
   zx        -0.516232D+01     -0.764976D+00     -0.851151D+00
   zy         0.228517D+01      0.338627D+00      0.376773D+00
   zz         0.973254D+02      0.144221D+02      0.160468D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.127714D+03      0.189253D+02      0.210572D+02
   aniso      0.585045D+02      0.866947D+01      0.964609D+01
   xx         0.164694D+03      0.244051D+02      0.271544D+02
   yx        -0.310971D+01     -0.460811D+00     -0.512722D+00
   yy         0.117645D+03      0.174332D+02      0.193970D+02
   zx        -0.547170D+01     -0.810823D+00     -0.902162D+00
   zy         0.218569D+01      0.323886D+00      0.360372D+00
   zz         0.100804D+03      0.149376D+02      0.166203D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.84350102         -4.11458160          1.11749627
     6          2.71549977         -2.09377643          1.96139727
     6          1.80939708          0.66985641          1.27982759
     6          0.29059178          1.05229429         -1.03462875
     6         -2.10477951          1.82814416         -1.15084451
     6         -3.44321037          2.11089180         -3.59966085
     8         -2.45468518          1.62065308         -5.61369948
     6          5.38602942         -2.76339846          1.15736277
     6          2.32147388         -1.36270363          4.78012289
     6          0.65938131          0.89181585          3.94881994
     6         -6.13810695          3.04871696         -3.44770045
     1          4.08098051         -0.74157458          5.65623075
     1          1.44784775         -2.78821811          5.98401243
     1          3.50522779          1.84928067          1.14766810
     1         -1.34368010          0.41530459          3.97294713
     1          0.91773251          2.68099268          4.93192395
     1          0.87888355         -4.36234917         -0.93042501
     1         -1.09024428         -3.64229132          1.65438282
     1          1.32059464         -5.92472620          1.98824646
     1          6.73472472         -1.33132072          1.78023032
     1          5.52555110         -2.92249386         -0.89758934
     1          5.96397377         -4.57524878          1.96433571
     1          1.21749486          0.64155198         -2.82249600
     1         -3.14697583          2.28601847          0.55249684
     1         -6.19568552          4.89289195         -2.51772021
     1         -7.27218713          1.76103447         -2.29642332
     1         -6.94542124          3.19235938         -5.33138021

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124577D+01      0.316643D+01      0.105621D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124577D+01      0.316643D+01      0.105621D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.123244D+03      0.182628D+02      0.203201D+02
   aniso      0.550687D+02      0.816033D+01      0.907960D+01
   xx         0.135502D+03      0.200794D+02      0.223413D+02
   yx        -0.203930D+02     -0.302193D+01     -0.336235D+01
   yy         0.107664D+03      0.159541D+02      0.177513D+02
   zx         0.184667D+02      0.273648D+01      0.304475D+01
   zy        -0.720680D+01     -0.106794D+01     -0.118824D+01
   zz         0.126565D+03      0.187550D+02      0.208677D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.127714D+03      0.189253D+02      0.210572D+02
   aniso      0.585045D+02      0.866947D+01      0.964609D+01
   xx         0.140609D+03      0.208361D+02      0.231833D+02
   yx        -0.211107D+02     -0.312828D+01     -0.348068D+01
   yy         0.111439D+03      0.165135D+02      0.183738D+02
   zx         0.202324D+02      0.299813D+01      0.333587D+01
   zy        -0.803881D+01     -0.119123D+01     -0.132542D+01
   zz         0.131095D+03      0.194263D+02      0.216146D+02

 ----------------------------------------------------------------------
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 0.00000040,-0.00000024,0.00000010,-0.00000007,0.,0.00000195,0.00000058
 ,-0.00000058,0.00000211,0.00000013,-0.00000111,0.00000199\\\@


 THE SECRET OF SUCCESS IN LIFE IS TO EAT WHAT YOU LIKE, AND LET THE FOOD
 FIGHT IT OUT INSIDE YOU. -- FROM A FORTUNE COOKIE
 Job cpu time:       0 days  6 hours 54 minutes 19.3 seconds.
 Elapsed time:       0 days  0 hours 51 minutes 50.6 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:39:00 2021.
